N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NC4CCC4)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NC4CCC4)NC=N3

InChI

InChI=1S/C16H19N7O2S/c1-26(24,25)23-12-7-3-6-11(8-12)20-16-21-14-13(17-9-18-14)15(22-16)19-10-4-2-5-10/h3,6-10,23H,2,4-5H2,1H3,(H3,17,18,19,20,21,22)