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Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

HCID 3073441
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Basic information

CAS
148711-97-1
Standard SMILES
Cl.Cn1c(=O)c2c(nc3n2CCCN3CCN2CCN(c3ccccc3)CC2)n(C)c1=O
InChIKey
WUWRTZWHEUACHW-UHFFFAOYSA-N
Molecular formula
C22H30ClN7O2
Average molar mass
460 g/mol
Monoisotopic mass
459.2149509

Names & identifiers

Preferred name
Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
IUPAC
1,3-dimethyl-9-[2-(4-phenylpiperazin-1-yl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;hydrochloride

Names & synonyms

148711-97-1Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochlorideDTXSID10164081RefChem:377742DTXCID30865721,3-Dimethyl-9-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione--hydrogen chloride (1/1)

Database identifiers

CAS
148711-97-1
PubChem CID
3073441
DTXSID
DTXSID10164081

Properties

Computed structural properties

Topological polar surface area
68.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
677

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