(4Z)-4-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-hydroxy-4-[6-(1-piperidyl)-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-hydroxy-4-[9-(4-methylphenyl)-6-(1-piperidinyl)-3H-purin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-hydroxy-4-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-hydroxy-4-[6-piperidino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2NC(=C4C=CC(=O)C(=C4)O)N=C3N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N/C(=C/4\C=CC(=O)C(=C4)O)/N=C3N5CCCCC5

InChI

InChI=1S/C23H23N5O2/c1-15-5-8-17(9-6-15)28-14-24-20-22(27-11-3-2-4-12-27)25-21(26-23(20)28)16-7-10-18(29)19(30)13-16/h5-10,13-14,26,30H,2-4,11-12H2,1H3/b21-16+