[5-[2,6-bis(azanyl)purin-9-yl]-2-cyano-3-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-[2,6-bis(azanyl)purin-9-yl]-2-cyano-3-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [2-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [2-cyano-5-(2,6-diamino-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [2-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [2-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C13H15N7O4 MolecularWeight: 333.3027

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=C(N=C3N)N)O)C#N

Isomeric SMILES

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=C(N=C3N)N)O)C#N

InChI

InChI=1S/C13H15N7O4/c1-6(21)23-4-13(3-14)7(22)2-8(24-13)20-5-17-9-10(15)18-12(16)19-11(9)20/h5,7-8,22H,2,4H2,1H3,(H4,15,16,18,19)