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

Systemtic Name: 6-(dimethylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(dimethylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(dimethylaminomethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(dimethylaminomethyl)-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-dimethyl-amine Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N6O2S/c1-27(2)13-18-19(20(22)26-21(23)25-18)15-6-8-16(9-7-15)24-12-14-4-10-17(11-5-14)30(3,28)29/h4-11,24H,12-13H2,1-3H3,(H4,22,23,25,26)