[(2R,3S,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl nonanoate

Systemtic Name: [(2R,3S,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl nonanoate Openeye Name: [(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl nonanoate CAS Name: nonanoic acid [(2R,3S,5R)-5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl nonanoate Traditional Name: pelargonic acid [(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H28ClN5O4 MolecularWeight: 425.90972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3N)Cl)O

Isomeric SMILES

CCCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=C(N=C3N)Cl)O

InChI

InChI=1S/C19H28ClN5O4/c1-2-3-4-5-6-7-8-15(27)28-10-13-12(26)9-14(29-13)25-11-22-16-17(21)23-19(20)24-18(16)25/h11-14,26H,2-10H2,1H3,(H2,21,23,24)/t12-,13+,14+/m0/s1