1,3-Bis(3-(dimethylamino)propyl)-6-(hydroxy(oxido)amino)-1H-pyrimido[4,5,6-kl]acridine-2(3H)-thione hydrochloride
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Basic information
- Standard SMILES
CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c23- InChIKey
WBFXUDNZPDONJM-UHFFFAOYSA-N- Molecular formula
- C24H30N6O2S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.21509539
Names & identifiers
- Preferred name
- 1,3-Bis(3-(dimethylamino)propyl)-6-(hydroxy(oxido)amino)-1H-pyrimido[4,5,6-kl]acridine-2(3H)-thione hydrochloride
- IUPAC
- 14,16-bis[3-(dimethylamino)propyl]-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-15-thione
Names & synonyms
NSC691848CHEMBL2007746NCI60_032981bis[3-(dimethylamino)propyl]-nitro-[?]thione1,3-Bis(3-(dimethylamino)propyl)-6-(hydroxy(oxido)amino)-1H-pyrimido[4,5,6-kl]acridine-2(3H)-thione hydrochloride
Database identifiers
- PubChem CID
- 392056
- ChEMBL
CHEMBL2007746
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
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Compound notes
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