7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxidanidyl-purin-1-ium-2-one hydrochloride

Systemtic Name: 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxidanidyl-purin-1-ium-2-one hydrochloride Openeye Name: 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxido-purin-1-ium-2-one hydrochloride CAS Name: 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxido-2-purin-1-iumone hydrochloride IUPAC Name: 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxidopurin-1-ium-2-one hydrochloride Traditional Name: 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-1-oxido-purin-1-ium-2-one hydrochloride Formula: C14H20ClN7O3 MolecularWeight: 369.8067

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC(=NO1)CN2C=NC3=C2C=[N+](C(=O)N3C)[O-].Cl

Isomeric SMILES

CCN(CC)CC1=NC(=NO1)CN2C=NC3=C2C=[N+](C(=O)N3C)[O-].Cl

InChI

InChI=1S/C14H19N7O3.ClH/c1-4-19(5-2)8-12-16-11(17-24-12)7-20-9-15-13-10(20)6-21(23)14(22)18(13)3;/h6,9H,4-5,7-8H2,1-3H3;1H