2-(hydroxymethyl)-4-(6-oxidanylidene-3H-purin-9-yl)pentanedial

Systemtic Name: 2-(hydroxymethyl)-4-(6-oxidanylidene-3H-purin-9-yl)pentanedial Openeye Name: 2-(hydroxymethyl)-4-(6-oxo-3H-purin-9-yl)pentanedial CAS Name: 2-(hydroxymethyl)-4-(6-oxo-3H-purin-9-yl)pentanedial IUPAC Name: 2-(hydroxymethyl)-4-(6-oxo-3H-purin-9-yl)pentanedial Traditional Name: 2-(6-keto-3H-purin-9-yl)-4-methylol-glutaraldehyde Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C(CC(CO)C=O)C=O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C(CC(CO)C=O)C=O

InChI

InChI=1S/C11H12N4O4/c16-2-7(3-17)1-8(4-18)15-6-14-9-10(15)12-5-13-11(9)19/h2,4-8,17H,1,3H2,(H,12,13,19)