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

Systemtic Name: 2-azanyl-7-(2-hydroxyethyl)-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-9-ium-6-one Openeye Name: 2-amino-7-(2-hydroxyethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-9-ium-6-one CAS Name: 2-amino-7-(2-hydroxyethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-(2-hydroxyethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-9-ium-6-one Traditional Name: 2-amino-7-(2-hydroxyethyl)-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-9-ium-6-one Formula: C12H18N5O5+ MolecularWeight: 312.30182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1[N+]2=CN(C3=C2NC(=NC3=O)N)CCO)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1[N+]2=CN(C3=C2NC(=NC3=O)N)CCO)CO)O

InChI

InChI=1S/C12H17N5O5/c13-12-14-10-9(11(21)15-12)16(1-2-18)5-17(10)8-3-6(20)7(4-19)22-8/h5-8,18-20H,1-4H2,(H2-,13,14,15,21)/p+1/t6-,7+,8+/m0/s1