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

Systemtic Name: (6Z)-6-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[6-(1-piperidyl)-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[9-(4-methylphenyl)-6-(1-piperidinyl)-3H-purin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[6-piperidino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2NC(=C4C=CC=CC4=O)N=C3N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N/C(=C/4\C=CC=CC4=O)/N=C3N5CCCCC5

InChI

InChI=1S/C23H23N5O/c1-16-9-11-17(12-10-16)28-15-24-20-22(27-13-5-2-6-14-27)25-21(26-23(20)28)18-7-3-4-8-19(18)29/h3-4,7-12,15,26H,2,5-6,13-14H2,1H3/b21-18+