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

Systemtic Name: [6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-9-ium-9-yl]-phenyl-methanone Openeye Name: [6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-9-yl]-phenyl-methanone CAS Name: [6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-9-purin-9-iumyl]-phenylmethanone IUPAC Name: [6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-9-ium-9-yl]-phenylmethanone Traditional Name: [6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-9-ium-9-yl]-phenyl-methanone Formula: C17H18N5O5+ MolecularWeight: 372.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[N+]2(C=NC3=C(N=CN=C32)N)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[N+]2(C=NC3=C(N=CN=C32)N)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H18N5O5/c18-14-11-15(20-7-19-14)22(8-21-11,16(26)9-4-2-1-3-5-9)17-13(25)12(24)10(6-23)27-17/h1-5,7-8,10,12-13,17,23-25H,6H2,(H2,18,19,20)/q+1