9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-1-prop-2-ynyl-purin-6-one

Systemtic Name: 9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-1-prop-2-ynyl-purin-6-one Openeye Name: 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-1-prop-2-ynyl-purin-6-one CAS Name: 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-1-prop-2-ynyl-6-purinone IUPAC Name: 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1-prop-2-ynylpurin-6-one Traditional Name: 9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-methylol-tetrahydrofuran-2-yl]-1-propargyl-purin-6-one Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN(C3=O)CC#C)CO)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=O)CC#C)CO)O

InChI

InChI=1S/C14H16N4O5/c1-3-4-17-6-16-12-9(13(17)21)15-7-18(12)14-11(22-2)10(20)8(5-19)23-14/h1,6-8,10-11,14,19-20H,4-5H2,2H3/t8-,10-,11-,14-/m1/s1