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

Systemtic Name: 4-[(3-carboxylatophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-carboxylatoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-carboxylatoanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-carboxylatoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-carboxylatoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H9N3O4S-2 MolecularWeight: 327.31466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4S/c1-7-10-12(16-6-17-13(10)23-11(7)15(21)22)18-9-4-2-3-8(5-9)14(19)20/h2-6H,1H3,(H,19,20)(H,21,22)(H,16,17,18)/p-2