4-(hydroxymethyl)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(hydroxymethyl)pyrimidine-5-carboxylic acid CAS Name: 4-(hydroxymethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(hydroxymethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-4-methylol-pyrimidine-5-carboxylic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=N3)CO)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=N3)CO)C(=O)O

InChI

InChI=1S/C17H20N4O3/c22-12-15-14(16(23)24)10-18-17(19-15)21-8-6-20(7-9-21)11-13-4-2-1-3-5-13/h1-5,10,22H,6-9,11-12H2,(H,23,24)