(2-aminophenyl)-[9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]methanesulfonamide hydrochloride

Systemtic Name: (2-aminophenyl)-[9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]methanesulfonamide hydrochloride Openeye Name: (2-aminophenyl)-[9-(1-methyl-6-oxo-3-pyridyl)purin-8-yl]methanesulfonamide hydrochloride CAS Name: (2-aminophenyl)-[9-(1-methyl-6-oxo-3-pyridinyl)-8-purinyl]methanesulfonamide hydrochloride IUPAC Name: (2-aminophenyl)-[9-(1-methyl-6-oxopyridin-3-yl)purin-8-yl]methanesulfonamide hydrochloride Traditional Name: (2-aminophenyl)-[9-(6-keto-1-methyl-3-pyridyl)purin-8-yl]methanesulfonamide hydrochloride Formula: C18H18ClN7O3S MolecularWeight: 447.89862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)N2C3=NC=NC=C3N=C2C(C4=CC=CC=C4N)S(=O)(=O)N.Cl

Isomeric SMILES

CN1C=C(C=CC1=O)N2C3=NC=NC=C3N=C2C(C4=CC=CC=C4N)S(=O)(=O)N.Cl

InChI

InChI=1S/C18H17N7O3S.ClH/c1-24-9-11(6-7-15(24)26)25-17-14(8-21-10-22-17)23-18(25)16(29(20,27)28)12-4-2-3-5-13(12)19;/h2-10,16H,19H2,1H3,(H2,20,27,28);1H