2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-2-(p-anisylthio)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N7OS/c1-15-12-19(26-25-15)22-18-13-20(28-10-8-27(2)9-11-28)24-21(23-18)30-14-16-4-6-17(29-3)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26)