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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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