8-[2-(dimethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-propyl-purin-2-olate

Systemtic Name: 8-[2-(dimethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-propyl-purin-2-olate Openeye Name: 8-[2-(dimethylammonio)ethylamino]-3-methyl-6-oxo-7-propyl-purin-2-olate CAS Name: 8-[2-(dimethylammonio)ethylamino]-3-methyl-6-oxo-7-propyl-2-purinolate IUPAC Name: 8-[2-(dimethylazaniumyl)ethylamino]-3-methyl-6-oxo-7-propylpurin-2-olate Traditional Name: 8-[2-(dimethylammonio)ethylamino]-6-keto-3-methyl-7-propyl-purin-2-olate Formula: C13H22N6O2 MolecularWeight: 294.35278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC[NH+](C)C)N(C(=NC2=O)[O-])C

Isomeric SMILES

CCCN1C2=C(N=C1NCC[NH+](C)C)N(C(=NC2=O)[O-])C

InChI

InChI=1S/C13H22N6O2/c1-5-7-19-9-10(18(4)13(21)16-11(9)20)15-12(19)14-6-8-17(2)3/h5-8H2,1-4H3,(H,14,15)(H,16,20,21)