8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(2-methylpropyl)-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(2-methylpropyl)-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-isobutyl-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-7-(2-methylpropyl)-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(2-methylpropyl)-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-isobutyl-6-keto-3-methyl-purin-2-olate Formula: C16H28N6O2 MolecularWeight: 336.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC(C)C)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC(C)C)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C16H28N6O2/c1-6-21(7-2)9-8-17-15-18-13-12(22(15)10-11(3)4)14(23)19-16(24)20(13)5/h11H,6-10H2,1-5H3,(H,17,18)(H,19,23,24)