ethanoic acid; 8-(piperidin-2-ylmethyl)purin-6-one

Systemtic Name: ethanoic acid; 8-(piperidin-2-ylmethyl)purin-6-one Openeye Name: acetic acid; 8-(2-piperidylmethyl)purin-6-one CAS Name: acetic acid; 8-(2-piperidinylmethyl)-6-purinone IUPAC Name: acetic acid; 8-(piperidin-2-ylmethyl)purin-6-one Traditional Name: acetic acid; 8-(2-piperidylmethyl)purin-6-one Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCNC(C1)CC2=NC3=NC=NC(=O)C3=N2

Isomeric SMILES

CC(=O)O.C1CCNC(C1)CC2=NC3=NC=NC(=O)C3=N2

InChI

InChI=1S/C11H13N5O.C2H4O2/c17-11-9-10(13-6-14-11)16-8(15-9)5-7-3-1-2-4-12-7;1-2(3)4/h6-7,12H,1-5H2;1H3,(H,3,4)