6-[2-azanyl-8-(methoxycarbonylamino)-6-oxidanylidene-3H-purin-9-yl]hexanoic acid

Systemtic Name: 6-[2-azanyl-8-(methoxycarbonylamino)-6-oxidanylidene-3H-purin-9-yl]hexanoic acid Openeye Name: 6-[2-amino-8-(methoxycarbonylamino)-6-oxo-3H-purin-9-yl]hexanoic acid CAS Name: 6-[2-amino-8-(methoxycarbonylamino)-6-oxo-3H-purin-9-yl]hexanoic acid IUPAC Name: 6-[2-amino-8-(methoxycarbonylamino)-6-oxo-3H-purin-9-yl]hexanoic acid Traditional Name: 6-[2-amino-8-(carbomethoxyamino)-6-keto-3H-purin-9-yl]hexanoic acid Formula: C13H18N6O5 MolecularWeight: 338.31922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1CCCCCC(=O)O)NC(=NC2=O)N

Isomeric SMILES

COC(=O)NC1=NC2=C(N1CCCCCC(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H18N6O5/c1-24-13(23)18-12-15-8-9(16-11(14)17-10(8)22)19(12)6-4-2-3-5-7(20)21/h2-6H2,1H3,(H,20,21)(H,15,18,23)(H3,14,16,17,22)