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

Systemtic Name: ethyl 6-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H37N5O4 MolecularWeight: 483.60308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C26H37N5O4/c1-2-35-25(33)23-21(27-26(34)28-24(23)20-10-6-5-7-11-20)18-29-14-16-30(17-15-29)19-22(32)31-12-8-3-4-9-13-31/h5-7,10-11,24H,2-4,8-9,12-19H2,1H3,(H2,27,28,34)