ethyl 4,6-dimethyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4,6-dimethyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4,6-dimethyl-2-[2-[4-(o-tolyl)piperazin-1-yl]ethylamino]pyrimidine-5-carboxylate CAS Name: 4,6-dimethyl-2-[2-[4-(2-methylphenyl)-1-piperazinyl]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dimethyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4,6-dimethyl-2-[2-[4-(o-tolyl)piperazino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3C)C

InChI

InChI=1S/C22H31N5O2/c1-5-29-21(28)20-17(3)24-22(25-18(20)4)23-10-11-26-12-14-27(15-13-26)19-9-7-6-8-16(19)2/h6-9H,5,10-15H2,1-4H3,(H,23,24,25)