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

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-methyl-1-piperazinyl)propylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)propylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(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:

CC(CSC1=NC(=C(C(=N1)N)CC2=CC=CC=C2OC)N)N3CCN(CC3)C

Isomeric SMILES

CC(CSC1=NC(=C(C(=N1)N)CC2=CC=CC=C2OC)N)N3CCN(CC3)C

InChI

InChI=1S/C20H30N6OS/c1-14(26-10-8-25(2)9-11-26)13-28-20-23-18(21)16(19(22)24-20)12-15-6-4-5-7-17(15)27-3/h4-7,14H,8-13H2,1-3H3,(H4,21,22,23,24)