2-methyl-N6-pyrimidin-2-yl-quinoline-4,6-diamine pentahydrate trihydrochloride

Systemtic Name: 2-methyl-N6-pyrimidin-2-yl-quinoline-4,6-diamine pentahydrate trihydrochloride Openeye Name: 2-methyl-N6-pyrimidin-2-yl-quinoline-4,6-diamine pentahydrate trihydrochloride CAS Name: 2-methyl-N6-(2-pyrimidinyl)quinoline-4,6-diamine pentahydrate trihydrochloride IUPAC Name: 2-methyl-6-N-pyrimidin-2-ylquinoline-4,6-diamine pentahydrate trihydrochloride Traditional Name: (4-amino-2-methyl-6-quinolyl)-(2-pyrimidyl)amine pentahydrate trihydrochloride Formula: C14H26Cl3N5O5 MolecularWeight: 450.74574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC3=NC=CC=N3)C(=C1)N.O.O.O.O.O.Cl.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC3=NC=CC=N3)C(=C1)N.O.O.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C14H13N5.3ClH.5H2O/c1-9-7-12(15)11-8-10(3-4-13(11)18-9)19-14-16-5-2-6-17-14;;;;;;;;/h2-8H,1H3,(H2,15,18)(H,16,17,19);3*1H;5*1H2