[2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [2-[(2-amino-6-keto-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C14H24N6O5 MolecularWeight: 356.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CO)OCN1C=NC2C1N=C(NC2=O)N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2C1N=C(NC2=O)N)N

InChI

InChI=1S/C14H24N6O5/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/h5,7-11,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-,10?,11?/m0/s1