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

Systemtic Name: ethyl 5-azanyl-4-(3-butoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-butoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3-butoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3-butoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3-butoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)OCC)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)OCC)N

InChI

InChI=1S/C20H23N3O3S2/c1-4-6-10-26-13-9-7-8-12(11-13)16-14-15(21)17(19(24)25-5-2)28-18(14)23-20(22-16)27-3/h7-9,11H,4-6,10,21H2,1-3H3