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

Systemtic Name: ethyl 4-ethyl-2-oxidanylidene-6-[[(phenylmethyl)-propan-2-yl-amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[benzyl(isopropyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-2-oxo-6-[[(phenylmethyl)-propan-2-ylamino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[benzyl(isopropyl)amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(CC2=CC=CC=C2)C(C)C)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN(CC2=CC=CC=C2)C(C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O3/c1-5-16-18(19(24)26-6-2)17(22-20(25)21-16)13-23(14(3)4)12-15-10-8-7-9-11-15/h7-11,14,16H,5-6,12-13H2,1-4H3,(H2,21,22,25)