N-[3-[6-azanyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[6-azanyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[6-amino-9-(1-methyl-6-oxo-3-pyridyl)purin-8-yl]phenyl]methanesulfonamide CAS Name: N-[3-[6-amino-9-(1-methyl-6-oxo-3-pyridinyl)-8-purinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[6-amino-9-(1-methyl-6-oxopyridin-3-yl)purin-8-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[6-amino-9-(6-keto-1-methyl-3-pyridyl)purin-8-yl]phenyl]methanesulfonamide Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C18H17N7O3S/c1-24-9-13(6-7-14(24)26)25-17(22-15-16(19)20-10-21-18(15)25)11-4-3-5-12(8-11)23-29(2,27)28/h3-10,23H,1-2H3,(H2,19,20,21)