N-(4-bromanyl-2-methyl-phenyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-5-methyl-2-[(methylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-keto-5-methyl-2-[(methylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC)C

InChI

InChI=1S/C17H16BrN3O2S2/c1-8-6-10(18)4-5-11(8)19-16(23)14-9(2)13-15(22)20-12(7-24-3)21-17(13)25-14/h4-6H,7H2,1-3H3,(H,19,23)(H,20,21,22)