N-cyclohexyl-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-cyclohexyl-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-N-cyclohexyl-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-5-methyl-4-oxo-2-(phenacylthio)-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-N-cyclohexyl-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-N-cyclohexyl-4-keto-5-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C29H29N3O3S2/c1-19-24-27(37-25(19)26(34)30-22-15-9-4-10-16-22)31-29(36-18-23(33)21-13-7-3-8-14-21)32(28(24)35)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,22H,4,9-10,15-18H2,1H3,(H,30,34)