3-[2-azanyl-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]benzenecarbonitrile trihydrochloride

Systemtic Name: 3-[2-azanyl-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]benzenecarbonitrile trihydrochloride Openeye Name: 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]benzonitrile trihydrochloride CAS Name: 3-[2-amino-6-[3-(methylamino)-1-pyrrolidinyl]-4-pyrimidinyl]benzonitrile trihydrochloride IUPAC Name: 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]benzonitrile trihydrochloride Traditional Name: 3-[2-amino-6-[3-(methylamino)pyrrolidino]pyrimidin-4-yl]benzonitrile trihydrochloride Formula: C16H21Cl3N6 MolecularWeight: 403.73714

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)N.Cl.Cl.Cl

Isomeric SMILES

CNC1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)N.Cl.Cl.Cl

InChI

InChI=1S/C16H18N6.3ClH/c1-19-13-5-6-22(10-13)15-8-14(20-16(18)21-15)12-4-2-3-11(7-12)9-17;;;/h2-4,7-8,13,19H,5-6,10H2,1H3,(H2,18,20,21);3*1H