ethyl 5-azanyl-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(2-chloroanilino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(2-chloroanilino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC=CC=C3Cl)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC=CC=C3Cl)N

InChI

InChI=1S/C16H15ClN4O2S2/c1-3-23-15(22)12-11(18)10-13(19-9-7-5-4-6-8(9)17)20-16(24-2)21-14(10)25-12/h4-7H,3,18H2,1-2H3,(H,19,20,21)