9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(imidazol-1-ylmethylamino)-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(imidazol-1-ylmethylamino)-3H-purin-6-one Openeye Name: 9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(imidazol-1-ylmethylamino)-3H-purin-6-one CAS Name: 9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(1-imidazolylmethylamino)-3H-purin-6-one IUPAC Name: 9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(imidazol-1-ylmethylamino)-3H-purin-6-one Traditional Name: 9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-2-(imidazol-1-ylmethylamino)-3H-purin-6-one Formula: C14H17N7O4 MolecularWeight: 347.32928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NCN4C=CN=C4)CO)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NCN4C=CN=C4)CO)O

InChI

InChI=1S/C14H17N7O4/c22-4-9-8(23)3-10(25-9)21-7-16-11-12(21)18-14(19-13(11)24)17-6-20-2-1-15-5-20/h1-2,5,7-10,22-23H,3-4,6H2,(H2,17,18,19,24)