5-chloranyl-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrimidine-2,4-diamine

Systemtic Name: 5-chloranyl-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrimidine-2,4-diamine Openeye Name: 5-chloro-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[6-(4-methylpiperazin-1-yl)-3-pyridyl]pyrimidine-2,4-diamine CAS Name: 5-chloro-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]pyrimidine-2,4-diamine IUPAC Name: 5-chloro-4-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrimidine-2,4-diamine Traditional Name: [5-chloro-4-[(2-esyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyrimidin-2-yl]-[6-(4-methylpiperazino)-3-pyridyl]amine Formula: C25H31ClN8O2S MolecularWeight: 543.08404

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=CC=C2NC3=NC(=NC=C3Cl)NC4=CN=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=CC=C2NC3=NC(=NC=C3Cl)NC4=CN=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C25H31ClN8O2S/c1-3-37(35,36)34-10-9-20-18(17-34)5-4-6-22(20)30-24-21(26)16-28-25(31-24)29-19-7-8-23(27-15-19)33-13-11-32(2)12-14-33/h4-8,15-16H,3,9-14,17H2,1-2H3,(H2,28,29,30,31)