9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(propan-2-ylamino)-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(propan-2-ylamino)-3H-purin-6-one Openeye Name: 9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(isopropylamino)-3H-purin-6-one CAS Name: 9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(propan-2-ylamino)-3H-purin-6-one IUPAC Name: 9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(propan-2-ylamino)-3H-purin-6-one Traditional Name: 9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-2-(isopropylamino)-3H-purin-6-one Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O

Isomeric SMILES

CC(C)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C13H19N5O4/c1-6(2)15-13-16-11-10(12(21)17-13)14-5-18(11)9-3-7(20)8(4-19)22-9/h5-9,19-20H,3-4H2,1-2H3,(H2,15,16,17,21)