N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C17H19N9O2S MolecularWeight: 413.45686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NCCC4=CN=CN4)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NCCC4=CN=CN4)NC=N3

InChI

InChI=1S/C17H19N9O2S/c1-29(27,28)26-12-4-2-3-11(7-12)23-17-24-15(14-16(25-17)22-10-21-14)19-6-5-13-8-18-9-20-13/h2-4,7-10,26H,5-6H2,1H3,(H,18,20)(H3,19,21,22,23,24,25)