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

Systemtic Name: ethyl 5-azanyl-4-[3-(2-benzamidoethoxy)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-[3-(2-benzamidoethoxy)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-[3-(2-benzamidoethoxy)phenyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[3-(2-benzamidoethoxy)phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-[3-(2-benzamidoethoxy)phenyl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H24N4O4S2 MolecularWeight: 508.61246

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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)OCCNC(=O)C4=CC=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S2/c1-3-32-24(31)21-19(26)18-20(28-25(34-2)29-23(18)35-21)16-10-7-11-17(14-16)33-13-12-27-22(30)15-8-5-4-6-9-15/h4-11,14H,3,12-13,26H2,1-2H3,(H,27,30)