3-ethyl-4-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-ethyl-4-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-3-ethyl-4-methyl-4H-pyrimidine-5-carboxylic acid CAS Name: 3-ethyl-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-3-ethyl-4-methyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-3-ethyl-4-methyl-4H-pyrimidine-5-carboxylic acid Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=CN=C1N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCN1C(C(=CN=C1N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C19H26N4O2/c1-3-23-15(2)17(18(24)25)13-20-19(23)22-11-9-21(10-12-22)14-16-7-5-4-6-8-16/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,24,25)