[3,4-diacetyloxy-5-(6-azanyl-2-cyano-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(6-azanyl-2-cyano-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-amino-2-cyano-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-2-cyano-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-amino-2-cyanopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-amino-2-cyano-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H18N6O7 MolecularWeight: 418.36082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H18N6O7/c1-7(24)27-5-10-13(28-8(2)25)14(29-9(3)26)17(30-10)23-6-20-12-15(19)21-11(4-18)22-16(12)23/h6,10,13-14,17H,5H2,1-3H3,(H2,19,21,22)