6-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]hexan-3-olate

Systemtic Name: 6-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]hexan-3-olate Openeye Name: 6-(1,3-dimethyl-2,6-dioxo-purin-7-yl)hexan-3-olate CAS Name: 6-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-hexanolate IUPAC Name: 6-(1,3-dimethyl-2,6-dioxopurin-7-yl)hexan-3-olate Traditional Name: 6-(2,6-diketo-1,3-dimethyl-purin-7-yl)hexan-3-olate Formula: C13H19N4O3- MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)[O-]

Isomeric SMILES

CCC(CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)[O-]

InChI

InChI=1S/C13H19N4O3/c1-4-9(18)6-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8-9H,4-7H2,1-3H3/q-1