[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azidooxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl ester Formula: C12H14N8O4 MolecularWeight: 334.29076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

InChI

InChI=1S/C12H14N8O4/c1-5(21)23-3-7-6(18-19-14)2-8(24-7)20-4-15-9-10(20)16-12(13)17-11(9)22/h4,6-8H,2-3H2,1H3,(H3,13,16,17,22)