ethyl 5-azanyl-4-(2-fluoranyl-3-methoxy-phenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(2-fluoranyl-3-methoxy-phenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(2-fluoro-3-methoxy-phenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(2-fluoro-3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(2-fluoro-3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(2-fluoro-3-methoxy-phenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16FN3O3S2 MolecularWeight: 393.455643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=C(C(=CC=C3)OC)F)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=C(C(=CC=C3)OC)F)N

InChI

InChI=1S/C17H16FN3O3S2/c1-4-24-16(22)14-12(19)10-13(20-17(25-3)21-15(10)26-14)8-6-5-7-9(23-2)11(8)18/h5-7H,4,19H2,1-3H3