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

Systemtic Name: 4-[(3-acetamidophenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-acetamidoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-acetamidoanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-acetamidoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-acetamidoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H15N4O3S- MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-8-13-15(18-9(2)19-16(13)25-14(8)17(23)24)21-12-6-4-5-11(7-12)20-10(3)22/h4-7H,1-3H3,(H,20,22)(H,23,24)(H,18,19,21)/p-1