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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C(C)(C)C)N(C(=S)S3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C(C)(C)C)N(C(=S)S3)C4=CC(=CC=C4)OC

InChI

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