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

Systemtic Name: 3-(2-hydroxyethyl)-4-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-3-(2-hydroxyethyl)-4-methyl-4H-pyrimidine-5-carboxylic acid CAS Name: 3-(2-hydroxyethyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-3-(2-hydroxyethyl)-4-methyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-3-(2-hydroxyethyl)-4-methyl-4H-pyrimidine-5-carboxylic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN=C(N1CCO)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(=CN=C(N1CCO)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H26N4O3/c1-15-17(18(25)26)13-20-19(23(15)11-12-24)22-9-7-21(8-10-22)14-16-5-3-2-4-6-16/h2-6,13,15,24H,7-12,14H2,1H3,(H,25,26)