ethyl 4-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H35N5O3/c1-5-26-25(19-22-9-7-20(3)8-10-22)27(31-21(4)30-26)33-15-17-34(18-16-33)29(36)32-24-13-11-23(12-14-24)28(35)37-6-2/h7-14H,5-6,15-19H2,1-4H3,(H,32,36)