methyl 4-chloranyl-6-ethyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: methyl 4-chloranyl-6-ethyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: methyl 2-(4-benzylpiperazin-1-yl)-4-chloro-6-ethyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-6-ethyl-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperazin-1-yl)-4-chloro-6-ethylpyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-chloro-6-ethyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H23ClN4O2/c1-3-15-16(18(25)26-2)17(20)22-19(21-15)24-11-9-23(10-12-24)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3