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

Systemtic Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-2-phenacylsulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-2-(phenacylthio)-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-2-phenacylsulfanyl-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-5-methyl-2-(phenacylthio)-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C32H29N3O3S2 MolecularWeight: 567.72096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C32H29N3O3S2/c1-20-16-21(2)18-25(17-20)33-29(37)28-22(3)27-30(40-28)34-32(39-19-26(36)24-12-8-5-9-13-24)35(31(27)38)15-14-23-10-6-4-7-11-23/h4-13,16-18H,14-15,19H2,1-3H3,(H,33,37)