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

Systemtic Name: 5-[3-bromanyl-4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-bromo-4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[3-bromo-4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[3-bromo-4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-bromo-4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)Br

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C20H22BrN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)