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

Systemtic Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-3-(4-nitrobenzyl)-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c1-13-17-20(30-18(13)19(26)23-15-5-3-2-4-6-15)22-12-24(21(17)27)11-14-7-9-16(10-8-14)25(28)29/h2-10,12H,11H2,1H3,(H,23,26)