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

Systemtic Name: 6-(methylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(methylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(methylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(methylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [2,6-diamino-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]methyl-methyl-amine Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CNCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24N6O2S/c1-23-12-17-18(19(21)26-20(22)25-17)14-5-7-15(8-6-14)24-11-13-3-9-16(10-4-13)29(2,27)28/h3-10,23-24H,11-12H2,1-2H3,(H4,21,22,25,26)