sodium [(2S,3S,5R)-3-azanyl-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: sodium [(2S,3S,5R)-3-azanyl-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: sodium [(2S,3S,5R)-3-amino-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: sodium [(2S,3S,5R)-3-amino-5-(6-benzamido-9-purinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: sodium [(2S,3S,5R)-3-amino-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: sodium [(2S,3S,5R)-3-amino-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C17H18N6NaO6P MolecularWeight: 456.324951

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COP(=O)(O)[O-])N.[Na+]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COP(=O)(O)[O-])N.[Na+]

InChI

InChI=1S/C17H19N6O6P.Na/c18-11-6-13(29-12(11)7-28-30(25,26)27)23-9-21-14-15(19-8-20-16(14)23)22-17(24)10-4-2-1-3-5-10;/h1-5,8-9,11-13H,6-7,18H2,(H2,25,26,27)(H,19,20,22,24);/q;+1/p-1/t11-,12+,13+;/m0./s1