2-azanyl-9-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7-oxidanidyl-3H-purin-7-ium-6-one

Systemtic Name: 2-azanyl-9-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7-oxidanidyl-3H-purin-7-ium-6-one Openeye Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-oxido-3H-purin-7-ium-6-one CAS Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-oxido-3H-purin-7-ium-6-one IUPAC Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-oxido-3H-purin-7-ium-6-one Traditional Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-7-oxido-3H-purin-7-ium-6-one Formula: C10H13N5O5 MolecularWeight: 283.24072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=[N+](C3=C2NC(=NC3=O)N)[O-])CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@@H]1N2C=[N+](C3=C2NC(=NC3=O)N)[O-])CO)O

InChI

InChI=1S/C10H13N5O5/c11-10-12-8-7(9(18)13-10)15(19)3-14(8)6-1-4(17)5(2-16)20-6/h3-6,16-17H,1-2H2,(H3,11,12,13,18)/t4-,5+,6-/m0/s1