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

Systemtic Name: methyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-9-12-14(25-13(9)16(21)24-2)17-8-18(15(12)20)7-10-3-5-11(6-4-10)19(22)23/h3-6,8H,7H2,1-2H3