6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-phenacylsulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-(phenacylthio)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-(phenacylthio)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H27N3O4S3 MolecularWeight: 553.71598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)SC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)SC2=S

InChI

InChI=1S/C27H27N3O4S3/c1-33-19-13-14-22(34-2)20(15-19)30-24-23(37-27(30)35)25(32)29(18-11-7-4-8-12-18)26(28-24)36-16-21(31)17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3