3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-piperonyl-propionamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4/c17-16-20-14-13(15(24)21-16)19-7-22(14)4-3-12(23)18-6-9-1-2-10-11(5-9)26-8-25-10/h1-2,5,7H,3-4,6,8H2,(H,18,23)(H3,17,20,21,24)