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

Systemtic Name: [5-[2,6-bis(azanyl)purin-9-yl]-2-cyano-oxolan-2-yl]methyl ethanoate Openeye Name: [2-cyano-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [2-cyano-5-(2,6-diamino-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [2-cyano-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [2-cyano-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O3/c1-7(21)22-5-13(4-14)3-2-8(23-13)20-6-17-9-10(15)18-12(16)19-11(9)20/h6,8H,2-3,5H2,1H3,(H4,15,16,18,19)