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

Systemtic Name: 5-chloranyl-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[3-methyl-4-(2-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-chloro-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[3-methyl-4-(2-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-chloro-N4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-N2-[3-methyl-4-(2-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-chloro-4-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-N-[3-methyl-4-(2-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: [5-chloro-4-[(2-esyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyrimidin-2-yl]-[3-methyl-4-(2-methylpiperazino)phenyl]amine Formula: C27H34ClN7O2S MolecularWeight: 556.12256

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=CC=C2NC3=NC(=NC=C3Cl)NC4=CC(=C(C=C4)N5CCNCC5C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=CC=C2NC3=NC(=NC=C3Cl)NC4=CC(=C(C=C4)N5CCNCC5C)C

InChI

InChI=1S/C27H34ClN7O2S/c1-4-38(36,37)34-12-10-22-20(17-34)6-5-7-24(22)32-26-23(28)16-30-27(33-26)31-21-8-9-25(18(2)14-21)35-13-11-29-15-19(35)3/h5-9,14,16,19,29H,4,10-13,15,17H2,1-3H3,(H2,30,31,32,33)