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

Systemtic Name: N-[3-[[6-(2-dimethylaminoethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-(2-dimethylaminoethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(2-dimethylaminoethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(2-dimethylaminoethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-(2-dimethylaminoethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C16H22N8O2S MolecularWeight: 390.46328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CN(C)CCNC1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H22N8O2S/c1-24(2)8-7-17-14-13-15(19-10-18-13)22-16(21-14)20-11-5-4-6-12(9-11)23-27(3,25)26/h4-6,9-10,23H,7-8H2,1-3H3,(H3,17,18,19,20,21,22)