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

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-oxidopyridin-1-ium-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-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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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=CC=CC=[N+]4[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=CC=CC=[N+]4[O-])C)C

InChI

InChI=1S/C22H20N4O3S2/c1-12-7-8-15(13(2)10-12)23-21(28)19-14(3)18-20(27)24-16(25-22(18)31-19)11-30-17-6-4-5-9-26(17)29/h4-10H,11H2,1-3H3,(H,23,28)(H,24,25,27)