phenethyl 5-methyl-4-[(4-propoxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(4-propoxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(4-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-[oxo(propoxy)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-3-14-32-25(30)19-9-11-20(12-10-19)29-23-21-17(2)22(34-24(21)28-16-27-23)26(31)33-15-13-18-7-5-4-6-8-18/h4-12,16H,3,13-15H2,1-2H3,(H,27,28,29)