[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-azanyl-3-methyl-butanoate; ethanoic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-azanyl-3-methyl-butanoate; ethanoic acid Openeye Name: acetic acid; [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate CAS Name: acetic acid; (2S)-2-amino-3-methylbutanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: acetic acid; [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate Traditional Name: acetic acid; (2S)-2-amino-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C16H26N6O7 MolecularWeight: 414.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N.CC(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N.CC(=O)O

InChI

InChI=1S/C14H22N6O5.C2H4O2/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;1-2(3)4/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H3,(H,3,4)/t8?,9-;/m0./s1