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

Systemtic Name: (4Z)-4-[9-(4-methylphenyl)-6-morpholin-4-yl-3H-purin-2-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-hydroxy-4-[6-morpholino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-hydroxy-4-[9-(4-methylphenyl)-6-(4-morpholinyl)-3H-purin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-hydroxy-4-[9-(4-methylphenyl)-6-morpholin-4-yl-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-hydroxy-4-[6-morpholino-9-(p-tolyl)-3H-purin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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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=C3N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N/C(=C/4\C=CC(=O)C(=C4)O)/N=C3N5CCOCC5

InChI

InChI=1S/C22H21N5O3/c1-14-2-5-16(6-3-14)27-13-23-19-21(26-8-10-30-11-9-26)24-20(25-22(19)27)15-4-7-17(28)18(29)12-15/h2-7,12-13,25,29H,8-11H2,1H3/b20-15+