5-[(8-azanyl-7-chloranyl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine dihydrochloride

Systemtic Name: 5-[(8-azanyl-7-chloranyl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine dihydrochloride Openeye Name: 5-[(8-amino-7-chloro-5-quinolyl)methyl]pyrimidine-2,4-diamine dihydrochloride CAS Name: 5-[(8-amino-7-chloro-5-quinolinyl)methyl]pyrimidine-2,4-diamine dihydrochloride IUPAC Name: 5-[(8-amino-7-chloroquinolin-5-yl)methyl]pyrimidine-2,4-diamine dihydrochloride Traditional Name: [2-amino-5-[(8-amino-7-chloro-5-quinolyl)methyl]pyrimidin-4-yl]amine dihydrochloride Formula: C14H15Cl3N6 MolecularWeight: 373.6681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2CC3=CN=C(N=C3N)N)Cl)N)N=C1.Cl.Cl

Isomeric SMILES

C1=CC2=C(C(=C(C=C2CC3=CN=C(N=C3N)N)Cl)N)N=C1.Cl.Cl

InChI

InChI=1S/C14H13ClN6.2ClH/c15-10-5-7(4-8-6-20-14(18)21-13(8)17)9-2-1-3-19-12(9)11(10)16;;/h1-3,5-6H,4,16H2,(H4,17,18,20,21);2*1H