6-azanyl-9-oxidanidyl-9-[(2S,3R)-2-oxidanylnonan-3-yl]-7H-purin-9-ium-8-one

Systemtic Name: 6-azanyl-9-oxidanidyl-9-[(2S,3R)-2-oxidanylnonan-3-yl]-7H-purin-9-ium-8-one Openeye Name: 6-amino-9-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-9-oxido-7H-purin-9-ium-8-one CAS Name: 6-amino-9-[(2S,3R)-2-hydroxynonan-3-yl]-9-oxido-7H-purin-9-ium-8-one IUPAC Name: 6-amino-9-[(2S,3R)-2-hydroxynonan-3-yl]-9-oxido-7H-purin-9-ium-8-one Traditional Name: 6-amino-9-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-9-oxido-7H-purin-9-ium-8-one Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)[N+]1(C2=NC=NC(=C2NC1=O)N)[O-]

Isomeric SMILES

CCCCCC[C@H]([C@H](C)O)[N+]1(C2=NC=NC(=C2NC1=O)N)[O-]

InChI

InChI=1S/C14H23N5O3/c1-3-4-5-6-7-10(9(2)20)19(22)13-11(18-14(19)21)12(15)16-8-17-13/h8-10,20H,3-7H2,1-2H3,(H,18,21)(H2,15,16,17)/t9-,10+,19?/m0/s1