N-[(4-tert-butylphenyl)methyl]-4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine CAS Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine Traditional Name: (4-tert-butylbenzyl)-[4-chloro-6-(4-methylpiperazino)-5-(methylthio)pyrimidin-2-yl]amine Formula: C21H30ClN5S MolecularWeight: 420.0144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)Cl)SC)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)Cl)SC)N3CCN(CC3)C

InChI

InChI=1S/C21H30ClN5S/c1-21(2,3)16-8-6-15(7-9-16)14-23-20-24-18(22)17(28-5)19(25-20)27-12-10-26(4)11-13-27/h6-9H,10-14H2,1-5H3,(H,23,24,25)