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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Cl)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Cl)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O4S/c1-12-17-20(23-11-25(21(17)28)10-13-5-2-3-8-16(13)22)31-18(12)19(27)24-14-6-4-7-15(9-14)26(29)30/h2-9,11H,10H2,1H3,(H,24,27)