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

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-keto-5-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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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)CC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CC4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H20N4O4S/c1-12-4-9-17(13(2)10-12)24-22(29)20-14(3)19-21(28)25-18(26-23(19)32-20)11-15-5-7-16(8-6-15)27(30)31/h4-10H,11H2,1-3H3,(H,24,29)(H,25,26,28)