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

Systemtic Name: phenethyl 5-methyl-4-[(3-propan-2-yloxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3-isopropoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-[oxo(propan-2-yloxy)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(3-propan-2-yloxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-isopropoxycarbonylanilino)-5-methyl-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:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C(=O)OC(C)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C(=O)OC(C)C)C(=O)OCCC4=CC=CC=C4

InChI

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