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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(2-methoxy-5-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=C(C=CC(=C3)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

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

InChI

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