[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-azanyl-3-methyl-butanoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-azanyl-3-methyl-butanoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H21N7O6 MolecularWeight: 383.35984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)O)O)N=[N+]=[N-])N

Isomeric SMILES

CC(C)C(C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)O)O)N=[N+]=[N-])N

InChI

InChI=1S/C14H21N7O6/c1-6(2)8(16)12(24)26-5-14(19-20-17)10(23)9(22)11(27-14)21-4-3-7(15)18-13(21)25/h3-4,6,8-11,22-23H,5,16H2,1-2H3,(H2,15,18,25)