[5-(8-acetamido-2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(8-acetamido-2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(8-acetamido-2-amino-6-oxo-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(8-acetamido-2-amino-6-oxo-3H-purin-9-yl)-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(8-acetamido-2-amino-6-oxo-3H-purin-9-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(8-acetamido-2-amino-6-keto-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H22N6O9 MolecularWeight: 466.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=NC2=O)N

Isomeric SMILES

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=NC2=O)N

InChI

InChI=1S/C18H22N6O9/c1-6(25)20-18-21-11-14(22-17(19)23-15(11)29)24(18)16-13(32-9(4)28)12(31-8(3)27)10(33-16)5-30-7(2)26/h10,12-13,16H,5H2,1-4H3,(H,20,21,25)(H3,19,22,23,29)