4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(2,2-dimethyl-3-oxidanyl-propyl)benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(2,2-dimethyl-3-oxidanyl-propyl)benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-hydroxy-2,2-dimethyl-propyl)benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-hydroxy-2,2-dimethyl-propyl)benzenesulfonamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N)C#N)CO

Isomeric SMILES

CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N)C#N)CO

InChI

InChI=1S/C16H20N6O3S/c1-16(2,10-23)9-20-26(24,25)13-5-3-12(4-6-13)21-15-19-8-11(7-17)14(18)22-15/h3-6,8,20,23H,9-10H2,1-2H3,(H3,18,19,21,22)