ethyl 4-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-keto-butyric acid ethyl ester Formula: C26H36N4O3 MolecularWeight: 452.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=C(C=C3)C

InChI

InChI=1S/C26H36N4O3/c1-5-23-22(18-21-10-8-19(3)9-11-21)26(28-20(4)27-23)30-15-7-14-29(16-17-30)24(31)12-13-25(32)33-6-2/h8-11H,5-7,12-18H2,1-4H3