2-azanyl-8-ethanoyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-ethanoyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one Openeye Name: 8-acetyl-2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one CAS Name: 8-acetyl-2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one IUPAC Name: 8-acetyl-2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one Traditional Name: 8-acetyl-2-amino-9-(4-hydroxy-3-methylol-butyl)-3H-purin-6-one Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c1-6(20)9-14-8-10(15-12(13)16-11(8)21)17(9)3-2-7(4-18)5-19/h7,18-19H,2-5H2,1H3,(H3,13,15,16,21)