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

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-methylsulfanyl-4-(3-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-phenoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-(3-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C22H19N3O3S2/c1-3-27-21(26)19-17(23)16-18(24-22(29-2)25-20(16)30-19)13-8-7-11-15(12-13)28-14-9-5-4-6-10-14/h4-12H,3,23H2,1-2H3