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

Systemtic Name: 3-[(3-fluorophenyl)methyl]-5-methyl-N-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[(3-fluorophenyl)methyl]-5-methyl-N-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-N-(4-nitrophenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-methyl-N-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-(3-fluorobenzyl)-4-keto-5-methyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H15FN4O4S MolecularWeight: 438.431603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15FN4O4S/c1-12-17-20(23-11-25(21(17)28)10-13-3-2-4-14(22)9-13)31-18(12)19(27)24-15-5-7-16(8-6-15)26(29)30/h2-9,11H,10H2,1H3,(H,24,27)