2-(2-ethoxyphenyl)-9-[(4-methylpiperazin-1-yl)methyl]-1H-purino[9,8-a]pyridin-4-one

Systemtic Name: 2-(2-ethoxyphenyl)-9-[(4-methylpiperazin-1-yl)methyl]-1H-purino[9,8-a]pyridin-4-one Openeye Name: 2-(2-ethoxyphenyl)-9-[(4-methylpiperazin-1-yl)methyl]-1H-purino[9,8-a]pyridin-4-one CAS Name: 2-(2-ethoxyphenyl)-9-[(4-methyl-1-piperazinyl)methyl]-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 2-(2-ethoxyphenyl)-9-[(4-methylpiperazin-1-yl)methyl]-1H-purino[9,8-a]pyridin-4-one Traditional Name: 9-[(4-methylpiperazino)methyl]-2-o-phenetyl-1H-purino[9,8-a]pyridin-4-one Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N4C(=N3)C=CC=C4CN5CCN(CC5)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N4C(=N3)C=CC=C4CN5CCN(CC5)C

InChI

InChI=1S/C23H26N6O2/c1-3-31-18-9-5-4-8-17(18)21-25-22-20(23(30)26-21)24-19-10-6-7-16(29(19)22)15-28-13-11-27(2)12-14-28/h4-10H,3,11-15H2,1-2H3,(H,25,26,30)