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

Systemtic Name: 4-[(4-chloranyl-2-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-chloro-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-chloro-2-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13ClN3O2S- MolecularWeight: 346.81132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C16H14ClN3O2S/c1-7-6-10(17)4-5-11(7)20-14-12-8(2)13(16(21)22)23-15(12)19-9(3)18-14/h4-6H,1-3H3,(H,21,22)(H,18,19,20)/p-1