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

Systemtic Name: (6Z)-6-[9-(4-methylphenyl)-6-thiomorpholin-4-yl-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[9-(p-tolyl)-6-thiomorpholino-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[9-(4-methylphenyl)-6-thiomorpholin-4-yl-3H-purin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[9-(4-methylphenyl)-6-thiomorpholin-4-yl-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[9-(p-tolyl)-6-thiomorpholino-3H-purin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2NC(=C4C=CC=CC4=O)N=C3N5CCSCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N/C(=C/4\C=CC=CC4=O)/N=C3N5CCSCC5

InChI

InChI=1S/C22H21N5OS/c1-15-6-8-16(9-7-15)27-14-23-19-21(26-10-12-29-13-11-26)24-20(25-22(19)27)17-4-2-3-5-18(17)28/h2-9,14,25H,10-13H2,1H3/b20-17+