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

Systemtic Name: N-(3,5-dimethylphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3,5-dimethylphenyl)-5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-5-methyl-2-[(3-nitrobenzyl)thio]-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C31H28N4O4S2 MolecularWeight: 584.70842

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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)SCC5=CC(=CC=C5)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC(=CC=C5)[N+](=O)[O-])C)C

InChI

InChI=1S/C31H28N4O4S2/c1-19-14-20(2)16-24(15-19)32-28(36)27-21(3)26-29(41-27)33-31(40-18-23-10-7-11-25(17-23)35(38)39)34(30(26)37)13-12-22-8-5-4-6-9-22/h4-11,14-17H,12-13,18H2,1-3H3,(H,32,36)