9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-propyl-purin-6-one

Systemtic Name: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-propyl-purin-6-one Openeye Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-propyl-purin-6-one CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-propyl-6-purinone IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propylpurin-6-one Traditional Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-propyl-purin-6-one Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C13H18N4O5/c1-2-3-16-5-15-11-8(12(16)21)14-6-17(11)13-10(20)9(19)7(4-18)22-13/h5-7,9-10,13,18-20H,2-4H2,1H3/t7-,9-,10-,13-/m1/s1