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

Systemtic Name: 1-[3-methyl-1-(1-oxidanidylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]propan-1-olate Openeye Name: 1-[3-methyl-1-(1-oxidopropyl)-2,6-dioxo-purin-7-yl]propan-1-olate CAS Name: 1-[3-methyl-1-(1-oxidopropyl)-2,6-dioxo-7-purinyl]-1-propanolate IUPAC Name: 1-[3-methyl-1-(1-oxidopropyl)-2,6-dioxopurin-7-yl]propan-1-olate Traditional Name: 1-[2,6-diketo-3-methyl-1-(1-oxidopropyl)purin-7-yl]propan-1-olate Formula: C12H16N4O4-2 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CC)[O-])[O-]

Isomeric SMILES

CCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CC)[O-])[O-]

InChI

InChI=1S/C12H16N4O4/c1-4-7(17)15-6-13-10-9(15)11(19)16(8(18)5-2)12(20)14(10)3/h6-8H,4-5H2,1-3H3/q-2