6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C28H30N6O2S MolecularWeight: 514.6418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N6O2S/c1-37(35,36)24-12-6-19(7-13-24)16-31-23-10-8-21(9-11-23)26-25(32-28(30)33-27(26)29)18-34-15-14-20-4-2-3-5-22(20)17-34/h2-13,31H,14-18H2,1H3,(H4,29,30,32,33)