6-ethyl-5-[4-[methyl-[(4-methylsulfonylphenyl)methyl]amino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[methyl-[(4-methylsulfonylphenyl)methyl]amino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[methyl-[(4-methylsulfonylphenyl)methyl]amino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[methyl-[(4-methylsulfonylphenyl)methyl]amino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[methyl-[(4-methylsulfonylphenyl)methyl]amino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)-methyl-amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N(C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N(C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O2S/c1-4-18-19(20(22)25-21(23)24-18)15-7-9-16(10-8-15)26(2)13-14-5-11-17(12-6-14)29(3,27)28/h5-12H,4,13H2,1-3H3,(H4,22,23,24,25)