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

Systemtic Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5S/c1-8-11-13(24-12(8)15(20)21)16-7-17(14(11)19)6-9-2-4-10(5-3-9)18(22)23/h2-5,7H,6H2,1H3,(H,20,21)