[(2S,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-azido-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-azido-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-azido-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5R)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-azido-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5R)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-azido-tetrahydrofuran-2-yl]methyl ester Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C17H18N6O4/c1-10-8-23(17(25)20-15(10)18)14-7-12(21-22-19)13(27-14)9-26-16(24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H2,18,20,25)/t12-,13+,14+/m0/s1