9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-3-prop-2-enoxy-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-3-prop-2-enoxy-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,3R,4R,5R)-3-allyloxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,3R,4R,5R)-3-allyloxy-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)O

Isomeric SMILES

C=CCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)CO)O

InChI

InChI=1S/C13H16N4O5/c1-2-3-21-10-9(19)7(4-18)22-13(10)17-6-16-8-11(17)14-5-15-12(8)20/h2,5-7,9-10,13,18-19H,1,3-4H2,(H,14,15,20)/t7-,9-,10-,13-/m1/s1