N-[3-[[6-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C16H21N7O3S MolecularWeight: 391.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)(CO)NC1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H21N7O3S/c1-16(2,8-24)22-14-12-13(18-9-17-12)20-15(21-14)19-10-5-4-6-11(7-10)23-27(3,25)26/h4-7,9,23-24H,8H2,1-3H3,(H3,17,18,19,20,21,22)