2-butoxy-3-piperazin-1-yl-4-pyrimidin-2-yl-quinoline trihydrochloride

Systemtic Name: 2-butoxy-3-piperazin-1-yl-4-pyrimidin-2-yl-quinoline trihydrochloride Openeye Name: 2-butoxy-3-piperazin-1-yl-4-pyrimidin-2-yl-quinoline trihydrochloride CAS Name: 2-butoxy-3-(1-piperazinyl)-4-(2-pyrimidinyl)quinoline trihydrochloride IUPAC Name: 2-butoxy-3-piperazin-1-yl-4-pyrimidin-2-ylquinoline trihydrochloride Traditional Name: 2-butoxy-3-piperazino-4-(2-pyrimidyl)quinoline trihydrochloride Formula: C21H28Cl3N5O MolecularWeight: 472.83892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC=C2C(=C1N3CCNCC3)C4=NC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1N3CCNCC3)C4=NC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C21H25N5O.3ClH/c1-2-3-15-27-21-19(26-13-11-22-12-14-26)18(20-23-9-6-10-24-20)16-7-4-5-8-17(16)25-21;;;/h4-10,22H,2-3,11-15H2,1H3;3*1H