N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxidanylidene-3H-purin-9-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxidanylidene-3H-purin-9-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3H-purin-9-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3H-purin-9-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3H-purin-9-yl)propanamide Traditional Name: 3-(6-keto-3H-purin-9-yl)-N-piperonyl-propionamide Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C3NC=NC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C16H15N5O4/c22-13(17-6-10-1-2-11-12(5-10)25-9-24-11)3-4-21-8-20-14-15(21)18-7-19-16(14)23/h1-2,5,7-8H,3-4,6,9H2,(H,17,22)(H,18,19,23)