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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 2-[(3-chlorophenyl)methylthio]-6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [2-[(3-chlorobenzyl)thio]-6-(4-methylpiperazino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C20H24ClN7S MolecularWeight: 429.96946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN7S/c1-14-10-18(26-25-14)22-17-12-19(28-8-6-27(2)7-9-28)24-20(23-17)29-13-15-4-3-5-16(21)11-15/h3-5,10-12H,6-9,13H2,1-2H3,(H2,22,23,24,25,26)