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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=NC2=C1NC(=NC2=O)N)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC[N+]1(C=NC2=C1NC(=NC2=O)N)C3C(C(C(O3)CO)O)O

InChI

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