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

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-methoxy-3-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxy-3-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H12N4O5S MolecularWeight: 360.34458

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5S/c1-7-11-13(16-6-17-14(11)25-12(7)15(20)21)18-8-3-4-10(24-2)9(5-8)19(22)23/h3-6H,1-2H3,(H,20,21)(H,16,17,18)