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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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