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

Systemtic Name: ethyl 5-azanyl-4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3,4-dimethoxyanilino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3,4-dimethoxyanilino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3,4-dimethoxyanilino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3,4-dimethoxyanilino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C18H20N4O4S2/c1-5-26-17(23)14-13(19)12-15(21-18(27-4)22-16(12)28-14)20-9-6-7-10(24-2)11(8-9)25-3/h6-8H,5,19H2,1-4H3,(H,20,21,22)