(phenylmethyl) 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S/c1-13-18-20(26)23-17(11-14-7-9-16(10-8-14)25(28)29)24-21(18)31-19(13)22(27)30-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,24,26)