5-methyl-N4-(4-methyl-3-methylsulfonyl-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-methyl-N4-(4-methyl-3-methylsulfonyl-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-methyl-N4-(4-methyl-3-methylsulfonyl-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-methyl-N4-(4-methyl-3-methylsulfonylphenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(3-mesyl-4-methyl-anilino)-5-methyl-pyrimidin-2-yl]-[4-(4-methylpiperazino)phenyl]amine Formula: C24H30N6O2S MolecularWeight: 466.599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(=O)(=O)C

InChI

InChI=1S/C24H30N6O2S/c1-17-5-6-20(15-22(17)33(4,31)32)26-23-18(2)16-25-24(28-23)27-19-7-9-21(10-8-19)30-13-11-29(3)12-14-30/h5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28)