3-(2,5-dimethoxyphenyl)-5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-(2-methylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-(2-methylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(2,5-dimethoxyphenyl)-5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-(o-tolyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(2,5-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)thio]-6-(2-methylphenyl)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(2,5-dimethoxyphenyl)-5-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-(2-methylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,5-dimethoxyphenyl)-5-[(2-keto-3,3-dimethyl-butyl)thio]-6-(o-tolyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H27N3O4S3 MolecularWeight: 541.70528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C(C)(C)C)N(C(=S)S3)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C(C)(C)C)N(C(=S)S3)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H27N3O4S3/c1-15-9-7-8-10-17(15)29-23(31)21-22(27-24(29)35-14-20(30)26(2,3)4)28(25(34)36-21)18-13-16(32-5)11-12-19(18)33-6/h7-13H,14H2,1-6H3