2-azanyl-9-[2-(hydroxymethyl)-2,3-bis(oxidanyl)propyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-(hydroxymethyl)-2,3-bis(oxidanyl)propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-3H-purin-6-one CAS Name: 2-amino-9-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-3H-purin-6-one Traditional Name: 2-amino-9-(2,3-dihydroxy-2-methylol-propyl)-3H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CO)(CO)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CO)(CO)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4/c10-8-12-6-5(7(17)13-8)11-4-14(6)1-9(18,2-15)3-16/h4,15-16,18H,1-3H2,(H3,10,12,13,17)