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

Systemtic Name: 6-(1,3-dihydroisoindol-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(isoindolin-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(1,3-dihydroisoindol-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(1,3-dihydroisoindol-2-ylmethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(isoindolin-2-ylmethyl)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C27H28N6O2S MolecularWeight: 500.61522

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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)CN4CC5=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)CN4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H28N6O2S/c1-36(34,35)23-12-6-18(7-13-23)14-30-22-10-8-19(9-11-22)25-24(31-27(29)32-26(25)28)17-33-15-20-4-2-3-5-21(20)16-33/h2-13,30H,14-17H2,1H3,(H4,28,29,31,32)