2-azanyl-9-[5-(hydroxymethyl)-8-methyl-3,6-dioxabicyclo[3.2.1]octan-7-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-8-methyl-3,6-dioxabicyclo[3.2.1]octan-7-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-(hydroxymethyl)-8-methyl-3,6-dioxabicyclo[3.2.1]octan-7-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-(hydroxymethyl)-8-methyl-3,6-dioxabicyclo[3.2.1]octan-7-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-(hydroxymethyl)-8-methyl-3,6-dioxabicyclo[3.2.1]octan-7-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(8-methyl-5-methylol-3,6-dioxabicyclo[3.2.1]octan-7-yl)-3H-purin-6-one Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2COCC1(OC2N3C=NC4=C3NC(=NC4=O)N)CO

Isomeric SMILES

CC1C2COCC1(OC2N3C=NC4=C3NC(=NC4=O)N)CO

InChI

InChI=1S/C13H17N5O4/c1-6-7-2-21-4-13(6,3-19)22-11(7)18-5-15-8-9(18)16-12(14)17-10(8)20/h5-7,11,19H,2-4H2,1H3,(H3,14,16,17,20)