N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-methyl-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-keto-5-methyl-2-[[(1-methylimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC=CN4C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC=CN4C)C)C

InChI

InChI=1S/C21H21N5O2S2/c1-11-5-6-14(12(2)9-11)23-19(28)17-13(3)16-18(27)24-15(25-20(16)30-17)10-29-21-22-7-8-26(21)4/h5-9H,10H2,1-4H3,(H,23,28)(H,24,25,27)