[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl butanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl butanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C14H19N5O6/c1-2-3-7(20)24-4-6-9(21)10(22)13(25-6)19-5-16-8-11(19)17-14(15)18-12(8)23/h5-6,9-10,13,21-22H,2-4H2,1H3,(H3,15,17,18,23)