4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[(4-fluorophenyl)methyl]benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(4-fluorobenzyl)benzenesulfonamide Formula: C18H15FN6O2S MolecularWeight: 398.414103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N)F

InChI

InChI=1S/C18H15FN6O2S/c19-14-3-1-12(2-4-14)10-23-28(26,27)16-7-5-15(6-8-16)24-18-22-11-13(9-20)17(21)25-18/h1-8,11,23H,10H2,(H3,21,22,24,25)