6-[(3-methylbutylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-[(3-methylbutylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-[(isopentylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-[(3-methylbutylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-[(3-methylbutylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-[(isoamylamino)methyl]pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C24H32N6O2S MolecularWeight: 468.61488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCNCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H32N6O2S/c1-16(2)12-13-27-15-21-22(23(25)30-24(26)29-21)18-6-8-19(9-7-18)28-14-17-4-10-20(11-5-17)33(3,31)32/h4-11,16,27-28H,12-15H2,1-3H3,(H4,25,26,29,30)