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

Systemtic Name: 4-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[6-(1-piperidyl)-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[9-(4-methylphenyl)-6-(1-piperidinyl)-3H-purin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[9-(4-methylphenyl)-6-piperidin-1-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-piperidino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-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(=O)C=C4)N=C3N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O/c1-16-5-9-18(10-6-16)28-15-24-20-22(27-13-3-2-4-14-27)25-21(26-23(20)28)17-7-11-19(29)12-8-17/h5-12,15,26H,2-4,13-14H2,1H3