4-[(4-methoxy-3-nitro-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-methoxy-3-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-methoxy-3-nitroanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxy-3-nitroanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-methoxy-3-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C16H14N4O5S/c1-7-12-14(17-8(2)18-15(12)26-13(7)16(21)22)19-9-4-5-11(25-3)10(6-9)20(23)24/h4-6H,1-3H3,(H,21,22)(H,17,18,19)