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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C12H17N5O5/c1-2-16-4-17(9-6(16)10(21)15-12(13)14-9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2-,13,14,15,21)/p+1/t5-,7-,8-,11-/m1/s1