5-[3-(4-azanyl-2-chloranyl-phenoxy)propyl]pyrimidine-2,4,6-triamine hydrochloride

Systemtic Name: 5-[3-(4-azanyl-2-chloranyl-phenoxy)propyl]pyrimidine-2,4,6-triamine hydrochloride Openeye Name: 5-[3-(4-amino-2-chloro-phenoxy)propyl]pyrimidine-2,4,6-triamine hydrochloride CAS Name: 5-[3-(4-amino-2-chlorophenoxy)propyl]pyrimidine-2,4,6-triamine hydrochloride IUPAC Name: 5-[3-(4-amino-2-chlorophenoxy)propyl]pyrimidine-2,4,6-triamine hydrochloride Traditional Name: [3-chloro-4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]amine hydrochloride Formula: C13H18Cl2N6O MolecularWeight: 345.22762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)OCCCC2=C(N=C(N=C2N)N)N.Cl

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)OCCCC2=C(N=C(N=C2N)N)N.Cl

InChI

InChI=1S/C13H17ClN6O.ClH/c14-9-6-7(15)3-4-10(9)21-5-1-2-8-11(16)19-13(18)20-12(8)17;/h3-4,6H,1-2,5,15H2,(H6,16,17,18,19,20);1H