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

Systemtic Name: 6-(3-methylbutoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(isopentyloxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(3-methylbutoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(3-methylbutoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(isoamoxymethyl)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H31N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-11,16,27H,12-15H2,1-3H3,(H4,25,26,28,29)