9-(3-fluorophenyl)-N2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine

Systemtic Name: 9-(3-fluorophenyl)-N2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine Openeye Name: 9-(3-fluorophenyl)-N2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine CAS Name: 9-(3-fluorophenyl)-N2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine IUPAC Name: 9-(3-fluorophenyl)-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-6-N-(4-methylsulfonylphenyl)purine-2,6-diamine Traditional Name: [9-(3-fluorophenyl)-6-(4-mesylanilino)purin-2-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amine Formula: C28H26FN7O2S MolecularWeight: 543.615143

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)NC3=NC4=C(C(=N3)NC5=CC=C(C=C5)S(=O)(=O)C)N=CN4C6=CC(=CC=C6)F

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)NC3=NC4=C(C(=N3)NC5=CC=C(C=C5)S(=O)(=O)C)N=CN4C6=CC(=CC=C6)F

InChI

InChI=1S/C28H26FN7O2S/c1-35-13-12-18-14-22(7-6-19(18)16-35)32-28-33-26(31-21-8-10-24(11-9-21)39(2,37)38)25-27(34-28)36(17-30-25)23-5-3-4-20(29)15-23/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,31,32,33,34)