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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-azanylpropanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-aminopropanoate CAS Name: 2-aminopropanoic 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 2-aminopropanoate Traditional Name: 2-aminopropionic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C13H18N6O6 MolecularWeight: 354.31862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O6/c1-4(14)12(23)24-2-5-7(20)8(21)11(25-5)19-3-16-6-9(19)17-13(15)18-10(6)22/h3-5,7-8,11,20-21H,2,14H2,1H3,(H3,15,17,18,22)