5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-cyclohexyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-cyclohexyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-cyclohexyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1H-benzimidazol-2-ylmethylthio)-6-cyclohexyl-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-cyclohexyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1H-benzimidazol-2-ylmethylthio)-6-cyclohexyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H27N5OS3 MolecularWeight: 533.73118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5N4)N(C(=S)S3)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5N4)N(C(=S)S3)CCC6=CC=CC=C6

InChI

InChI=1S/C27H27N5OS3/c33-25-23-24(31(27(34)36-23)16-15-18-9-3-1-4-10-18)30-26(32(25)19-11-5-2-6-12-19)35-17-22-28-20-13-7-8-14-21(20)29-22/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,28,29)