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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)ethylidene)-1,3-bis(2-methoxyethyl)-, hydrochloride (1:1)

HCID 74933542
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Basic information

CAS
196965-94-3
Standard SMILES
CCN1C(=CC(C=C2Sc3ccc4ccccc4c3N2CC)=C2C(=O)N(CCOC)C(=O)N(CCOC)C2=O)Sc2ccc3ccccc3c21.Cl
InChIKey
KSOOHQIKEIXMDY-UHFFFAOYSA-N
Molecular formula
C39H39ClN4O5S2
Average molar mass
743.3 g/mol
Monoisotopic mass
742.2050404

Names & identifiers

Preferred name
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)ethylidene)-1,3-bis(2-methoxyethyl)-, hydrochloride (1:1)
IUPAC
5-[1,3-bis(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione;hydrochloride

Names & synonyms

DTXSID90889109196965-94-32,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)ethylidene)-1,3-bis(2-methoxyethyl)-, monohydrochloride2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-, hydrochloride (1:1)2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)ethylidene)-1,3-bis(2-methoxyethyl)-, hydrochloride (1:1)2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-, monohydrochlorideRefChem:82057DTXCID5010283775-[1,3-Bis(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione--hydrogen chloride (1/1)

Database identifiers

CAS
196965-94-3
PubChem CID
74933542
DTXSID
DTXSID90889109

Properties

Computed structural properties

Topological polar surface area
133 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
51
Formal charge
0
Complexity
1,300

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-, hydrochloride (1:1): INACTIVE

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