methyl 4-methoxy-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: methyl 4-methoxy-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: methyl 2-(4-benzylpiperazin-1-yl)-4-methoxy-pyrimidine-5-carboxylate CAS Name: 4-methoxy-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperazin-1-yl)-4-methoxypyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-methoxy-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-24-16-15(17(23)25-2)12-19-18(20-16)22-10-8-21(9-11-22)13-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3