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

Systemtic Name: ethyl 2-oxidanylidene-6-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3/c1-2-27-19(25)17-13-21-20(26)22-18(17)15-24-10-6-9-23(11-12-24)14-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H2,21,22,26)