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

Systemtic Name: 4-[9-(4-methylphenyl)-6-morpholin-4-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[6-morpholino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[9-(4-methylphenyl)-6-(4-morpholinyl)-3H-purin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[9-(4-methylphenyl)-6-morpholin-4-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-morpholino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2NC(=C4C=CC(=O)C=C4)N=C3N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2NC(=C4C=CC(=O)C=C4)N=C3N5CCOCC5

InChI

InChI=1S/C22H21N5O2/c1-15-2-6-17(7-3-15)27-14-23-19-21(26-10-12-29-13-11-26)24-20(25-22(19)27)16-4-8-18(28)9-5-16/h2-9,14,25H,10-13H2,1H3