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

Systemtic Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonic acid Openeye Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonic acid CAS Name: 1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolesulfonic acid IUPAC Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-sulfonic acid Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-sulfonic acid Formula: C15H22N6O3S MolecularWeight: 366.43858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O3S/c22-25(23,24)13-11-19-21(12-13)8-1-3-14(15-17-4-2-5-18-15)20-9-6-16-7-10-20/h2,4-5,11-12,14,16H,1,3,6-10H2,(H,22,23,24)