9-[(2S,3R)-2-oxidanylnonan-3-yl]-3H-purin-6-one

Systemtic Name: 9-[(2S,3R)-2-oxidanylnonan-3-yl]-3H-purin-6-one Openeye Name: 9-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-3H-purin-6-one CAS Name: 9-[(2S,3R)-2-hydroxynonan-3-yl]-3H-purin-6-one IUPAC Name: 9-[(2S,3R)-2-hydroxynonan-3-yl]-3H-purin-6-one Traditional Name: 9-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-3H-purin-6-one Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CCCCCC[C@H]([C@H](C)O)N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C14H22N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8-11,19H,3-7H2,1-2H3,(H,15,16,20)/t10-,11+/m0/s1