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

Systemtic Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-2-(4-pyridylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-2-(pyridin-4-ylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-5-methyl-3-phenethyl-2-(4-pyridylmethylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C30H28N4O2S2 MolecularWeight: 540.69892

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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=NC=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)SCC5=CC=NC=C5)C)C

InChI

InChI=1S/C30H28N4O2S2/c1-19-15-20(2)17-24(16-19)32-27(35)26-21(3)25-28(38-26)33-30(37-18-23-9-12-31-13-10-23)34(29(25)36)14-11-22-7-5-4-6-8-22/h4-10,12-13,15-17H,11,14,18H2,1-3H3,(H,32,35)