2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl]amino]-3-methyl-butanoate ethanoate

Systemtic Name: 2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl]amino]-3-methyl-butanoate ethanoate Openeye Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl]amino]-3-methyl-butanoate acetate CAS Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl]amino]-3-methylbutanoate acetate IUPAC Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl]amino]-3-methylbutanoate acetate Traditional Name: 2-[[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl]amino]-3-methyl-butyrate acetate Formula: C16H24N6O7-2 MolecularWeight: 412.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NCC(CO)OCN1C=NC2=C1NC(=NC2=O)N.CC(=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)[O-])NCC(CO)OCN1C=NC2=C1NC(=NC2=O)N.CC(=O)[O-]

InChI

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