butane; 2-piperazin-1-ylpyrimidine; 1H-pyrazole; trihydrochloride

Systemtic Name: butane; 2-piperazin-1-ylpyrimidine; 1H-pyrazole; trihydrochloride Openeye Name: butane; 2-piperazin-1-ylpyrimidine; 1H-pyrazole; trihydrochloride CAS Name: butane; 2-(1-piperazinyl)pyrimidine; 1H-pyrazole; trihydrochloride IUPAC Name: butane; 2-piperazin-1-ylpyrimidine; 1H-pyrazole; trihydrochloride Traditional Name: n-butane; 2-piperazinopyrimidine; 1H-pyrazole; trihydrochloride Formula: C15H29Cl3N6 MolecularWeight: 399.78996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1CN(CCN1)C2=NC=CC=N2.C1=CNN=C1.Cl.Cl.Cl

Isomeric SMILES

CCCC.C1CN(CCN1)C2=NC=CC=N2.C1=CNN=C1.Cl.Cl.Cl

InChI

InChI=1S/C8H12N4.C4H10.C3H4N2.3ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-4-2;1-2-4-5-3-1;;;/h1-3,9H,4-7H2;3-4H2,1-2H3;1-3H,(H,4,5);3*1H