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

Systemtic Name: N-[3-[[6-(pyridin-3-ylmethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-(3-pyridylmethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(3-pyridinylmethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(pyridin-3-ylmethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-(3-pyridylmethylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C18H18N8O2S MolecularWeight: 410.45292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NCC4=CN=CC=C4)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NCC4=CN=CC=C4)NC=N3

InChI

InChI=1S/C18H18N8O2S/c1-29(27,28)26-14-6-2-5-13(8-14)23-18-24-16(15-17(25-18)22-11-21-15)20-10-12-4-3-7-19-9-12/h2-9,11,26H,10H2,1H3,(H3,20,21,22,23,24,25)