1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylic acid CAS Name: 1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-carboxylic acid Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-carboxylic acid Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C16H22N6O2/c23-16(24)13-11-20-22(12-13)8-1-3-14(15-18-4-2-5-19-15)21-9-6-17-7-10-21/h2,4-5,11-12,14,17H,1,3,6-10H2,(H,23,24)