3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2,3-bis(oxidanyl)propyl]propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2,3-bis(oxidanyl)propyl]propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2,3-dihydroxypropyl)propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2,3-dihydroxypropyl)propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2,3-dihydroxypropyl)propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-glyceryl-propionamide Formula: C11H16N6O4 MolecularWeight: 296.28254

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(=O)NCC(CO)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(=O)NCC(CO)O)NC(=NC2=O)N

InChI

InChI=1S/C11H16N6O4/c12-11-15-9-8(10(21)16-11)14-5-17(9)2-1-7(20)13-3-6(19)4-18/h5-6,18-19H,1-4H2,(H,13,20)(H3,12,15,16,21)