5-[(2-methoxyphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 5-[(2-methoxyphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[3-(4-methyl-1-piperazinyl)propylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[3-(4-methylpiperazino)propylthio]-5-o-anisyl-pyrimidin-4-yl]amine Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

Isomeric SMILES

CN1CCN(CC1)CCCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

InChI

InChI=1S/C20H30N6OS/c1-25-9-11-26(12-10-25)8-5-13-28-20-23-18(21)16(19(22)24-20)14-15-6-3-4-7-17(15)27-2/h3-4,6-7H,5,8-14H2,1-2H3,(H4,21,22,23,24)