5-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)butylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)butylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 5-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)butylsulfanyl]pyrimidine-4,6-diamine CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[4-(4-methyl-1-piperazinyl)butylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)butylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[4-(4-methylpiperazino)butylthio]-5-o-anisyl-pyrimidin-4-yl]amine Formula: C21H32N6OS MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

Isomeric SMILES

CN1CCN(CC1)CCCCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

InChI

InChI=1S/C21H32N6OS/c1-26-10-12-27(13-11-26)9-5-6-14-29-21-24-19(22)17(20(23)25-21)15-16-7-3-4-8-18(16)28-2/h3-4,7-8H,5-6,9-15H2,1-2H3,(H4,22,23,24,25)