3-azanyl-6,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-6,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-amino-6,7-dimethyl-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 3-amino-6,7-dimethyl-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-amino-6,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-amino-6,7-dimethyl-2-[4-[4-(2-quinolyl)piperazino]butyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1N=C(N(C2=O)N)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(NC2=C1N=C(N(C2=O)N)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C25H31N7O/c1-17-18(2)27-24-23(17)29-22(32(26)25(24)33)9-5-6-12-30-13-15-31(16-14-30)21-11-10-19-7-3-4-8-20(19)28-21/h3-4,7-8,10-11,27H,5-6,9,12-16,26H2,1-2H3