ethyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(phenylmethyl)-propan-2-yl-amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(phenylmethyl)-propan-2-yl-amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[benzyl(isopropyl)amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2-oxo-6-[[(phenylmethyl)-propan-2-ylamino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[benzyl(propan-2-yl)amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[benzyl(isopropyl)amino]methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)CN(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H31N3O4/c1-5-32-24(29)22-21(16-28(17(2)3)15-18-9-7-6-8-10-18)26-25(30)27-23(22)19-11-13-20(31-4)14-12-19/h6-14,17,23H,5,15-16H2,1-4H3,(H2,26,27,30)/t23-/m0/s1