5-[(2-methoxyphenyl)methyl]-2-[2-(4-propan-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-propan-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(4-isopropylpiperazin-1-yl)ethylsulfanyl]-5-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-propan-2-yl-1-piperazinyl)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(2-methoxyphenyl)methyl]-2-[2-(4-propan-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(4-isopropylpiperazino)ethylthio]-5-o-anisyl-pyrimidin-4-yl]amine Formula: C21H32N6OS MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

Isomeric SMILES

CC(C)N1CCN(CC1)CCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3OC)N

InChI

InChI=1S/C21H32N6OS/c1-15(2)27-10-8-26(9-11-27)12-13-29-21-24-19(22)17(20(23)25-21)14-16-6-4-5-7-18(16)28-3/h4-7,15H,8-14H2,1-3H3,(H4,22,23,24,25)