1-[3-(dimethylamino)-1-(1-oxidanidylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]propan-1-olate

Systemtic Name: 1-[3-(dimethylamino)-1-(1-oxidanidylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]propan-1-olate Openeye Name: 1-[3-(dimethylamino)-1-(1-oxidopropyl)-2,6-dioxo-purin-7-yl]propan-1-olate CAS Name: 1-[3-(dimethylamino)-1-(1-oxidopropyl)-2,6-dioxo-7-purinyl]-1-propanolate IUPAC Name: 1-[3-(dimethylamino)-1-(1-oxidopropyl)-2,6-dioxopurin-7-yl]propan-1-olate Traditional Name: 1-[3-(dimethylamino)-2,6-diketo-1-(1-oxidopropyl)purin-7-yl]propan-1-olate Formula: C13H19N5O4-2 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=NC2=C1C(=O)N(C(=O)N2N(C)C)C(CC)[O-])[O-]

Isomeric SMILES

CCC(N1C=NC2=C1C(=O)N(C(=O)N2N(C)C)C(CC)[O-])[O-]

InChI

InChI=1S/C13H19N5O4/c1-5-8(19)16-7-14-11-10(16)12(21)17(9(20)6-2)13(22)18(11)15(3)4/h7-9H,5-6H2,1-4H3/q-2