6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-(2-amino-4-anilino-6-ethyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)NC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)NC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H27N5O2S/c1-3-23-24(25(31-26(27)30-23)29-21-7-5-4-6-8-21)19-11-13-20(14-12-19)28-17-18-9-15-22(16-10-18)34(2,32)33/h4-16,28H,3,17H2,1-2H3,(H3,27,29,30,31)