4-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]amino]benzamide

Systemtic Name: 4-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]amino]benzamide Openeye Name: 4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]amino]benzamide CAS Name: 4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]amino]benzamide IUPAC Name: 4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]amino]benzamide Traditional Name: 4-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-3H-purin-2-yl]amino]benzamide Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H18N6O6/c18-13(27)7-1-3-8(4-2-7)20-17-21-14-10(15(28)22-17)19-6-23(14)16-12(26)11(25)9(5-24)29-16/h1-4,6,9,11-12,16,24-26H,5H2,(H2,18,27)(H2,20,21,22,28)