6-[(cyclopentylmethylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-[(cyclopentylmethylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-[(cyclopentylmethylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-[(cyclopentylmethylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-[(cyclopentylmethylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: cyclopentylmethyl-[[2,6-diamino-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]methyl]amine Formula: C25H32N6O2S MolecularWeight: 480.62558

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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)CNCC4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)CNCC4CCCC4

InChI

InChI=1S/C25H32N6O2S/c1-34(32,33)21-12-6-18(7-13-21)15-29-20-10-8-19(9-11-20)23-22(30-25(27)31-24(23)26)16-28-14-17-4-2-3-5-17/h6-13,17,28-29H,2-5,14-16H2,1H3,(H4,26,27,30,31)