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

Systemtic Name: ethyl 6-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3-amino-3-oxo-propyl)-benzyl-amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3-amino-3-oxopropyl)-benzylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-amino-3-keto-propyl)-benzyl-amino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4/c1-2-32-23(30)21-19(26-24(31)27-22(21)18-11-7-4-8-12-18)16-28(14-13-20(25)29)15-17-9-5-3-6-10-17/h3-12,22H,2,13-16H2,1H3,(H2,25,29)(H2,26,27,31)