sodium [(2S,3S,5R)-3-azanyl-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: sodium [(2S,3S,5R)-3-azanyl-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: sodium [(2S,3S,5R)-3-amino-5-(4-benzamido-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: sodium [(2S,3S,5R)-3-amino-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: sodium [(2S,3S,5R)-3-amino-5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: sodium [(2S,3S,5R)-3-amino-5-(4-benzamido-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C16H18N4NaO7P MolecularWeight: 432.300251

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COP(=O)(O)[O-])N.[Na+]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COP(=O)(O)[O-])N.[Na+]

InChI

InChI=1S/C16H19N4O7P.Na/c17-11-8-14(27-12(11)9-26-28(23,24)25)20-7-6-13(19-16(20)22)18-15(21)10-4-2-1-3-5-10;/h1-7,11-12,14H,8-9,17H2,(H2,23,24,25)(H,18,19,21,22);/q;+1/p-1/t11-,12+,14+;/m0./s1