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

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-(4-piperazin-1-ylbutylsulfanyl)pyrimidine-4,6-diamine trihydrochloride Openeye Name: 5-[(2-methoxyphenyl)methyl]-2-(4-piperazin-1-ylbutylsulfanyl)pyrimidine-4,6-diamine trihydrochloride CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[4-(1-piperazinyl)butylthio]pyrimidine-4,6-diamine trihydrochloride IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-(4-piperazin-1-ylbutylsulfanyl)pyrimidine-4,6-diamine trihydrochloride Traditional Name: [6-amino-5-o-anisyl-2-(4-piperazinobutylthio)pyrimidin-4-yl]amine trihydrochloride Formula: C20H33Cl3N6OS MolecularWeight: 511.93962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCCCN3CCNCC3)N.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCCCN3CCNCC3)N.Cl.Cl.Cl

InChI

InChI=1S/C20H30N6OS.3ClH/c1-27-17-7-3-2-6-15(17)14-16-18(21)24-20(25-19(16)22)28-13-5-4-10-26-11-8-23-9-12-26;;;/h2-3,6-7,23H,4-5,8-14H2,1H3,(H4,21,22,24,25);3*1H