tert-butyl (4S)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4S)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4S)-4-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)N)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)N)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O6/c1-10-15(17(24)28-19(2,3)4)16(22-18(25)21-10)11-6-7-12(13(8-11)26-5)27-9-14(20)23/h6-8,16H,9H2,1-5H3,(H2,20,23)(H2,21,22,25)/t16-/m0/s1