2-[4-(4-chloranylpyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine dihydrochloride

Systemtic Name: 2-[4-(4-chloranylpyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine dihydrochloride Openeye Name: 2-[4-(4-chloropyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine dihydrochloride CAS Name: 2-[4-(4-chloro-1-pyrazolyl)-1-(1-piperazinyl)butyl]pyrimidine dihydrochloride IUPAC Name: 2-[4-(4-chloropyrazol-1-yl)-1-piperazin-1-ylbutyl]pyrimidine dihydrochloride Traditional Name: 2-[4-(4-chloropyrazol-1-yl)-1-piperazino-butyl]pyrimidine dihydrochloride Formula: C15H23Cl3N6 MolecularWeight: 393.74232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN6.2ClH/c16-13-11-20-22(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;2*1H