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

Systemtic Name: propan-2-yl 5-methyl-4-[(3-propoxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-[oxo(propoxy)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-9-27-20(25)14-7-6-8-15(10-14)24-18-16-13(4)17(21(26)28-12(2)3)29-19(16)23-11-22-18/h6-8,10-12H,5,9H2,1-4H3,(H,22,23,24)