5-[(2-methoxyphenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine trihydrochloride

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine trihydrochloride Openeye Name: 5-[(2-methoxyphenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine trihydrochloride CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[3-(1-piperazinyl)propylthio]pyrimidine-4,6-diamine trihydrochloride IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine trihydrochloride Traditional Name: [6-amino-5-o-anisyl-2-(3-piperazinopropylthio)pyrimidin-4-yl]amine trihydrochloride Formula: C19H31Cl3N6OS MolecularWeight: 497.91304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCCN3CCNCC3)N.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCCN3CCNCC3)N.Cl.Cl.Cl

InChI

InChI=1S/C19H28N6OS.3ClH/c1-26-16-6-3-2-5-14(16)13-15-17(20)23-19(24-18(15)21)27-12-4-9-25-10-7-22-8-11-25;;;/h2-3,5-6,22H,4,7-13H2,1H3,(H4,20,21,23,24);3*1H