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

Systemtic Name: ethyl 4-azanyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(4-chlorophenyl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(4-chlorophenyl)thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=C(C=C3)Cl)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=C(C=C3)Cl)N)C

InChI

InChI=1S/C17H16ClN3O2S2/c1-3-23-17(22)14-9(2)13-15(19)20-12(21-16(13)25-14)8-24-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3,(H2,19,20,21)