[(3S,6S)-3-(2-azanyl-6-chloranyl-purin-9-yl)-3,6-dihydro-2H-pyran-6-yl]methyl benzoate

Systemtic Name: [(3S,6S)-3-(2-azanyl-6-chloranyl-purin-9-yl)-3,6-dihydro-2H-pyran-6-yl]methyl benzoate Openeye Name: [(3S,6S)-3-(2-amino-6-chloro-purin-9-yl)-3,6-dihydro-2H-pyran-6-yl]methyl benzoate CAS Name: benzoic acid [(3S,6S)-3-(2-amino-6-chloro-9-purinyl)-3,6-dihydro-2H-pyran-6-yl]methyl ester IUPAC Name: [(3S,6S)-3-(2-amino-6-chloropurin-9-yl)-3,6-dihydro-2H-pyran-6-yl]methyl benzoate Traditional Name: benzoic acid [(3S,6S)-3-(2-amino-6-chloro-purin-9-yl)-3,6-dihydro-2H-pyran-6-yl]methyl ester Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1[C@H](C=C[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C18H16ClN5O3/c19-15-14-16(23-18(20)22-15)24(10-21-14)12-6-7-13(26-8-12)9-27-17(25)11-4-2-1-3-5-11/h1-7,10,12-13H,8-9H2,(H2,20,22,23)/t12-,13-/m0/s1