2-[(1S,2R)-2-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-3-en-1-yl]ethyl methyl carbonate

Systemtic Name: 2-[(1S,2R)-2-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-3-en-1-yl]ethyl methyl carbonate Openeye Name: 2-[(1S,2R)-2-(2-amino-6-chloro-purin-9-yl)cyclopent-3-en-1-yl]ethyl methyl carbonate CAS Name: carbonic acid 2-[(1S,2R)-2-(2-amino-6-chloro-9-purinyl)-1-cyclopent-3-enyl]ethyl methyl ester IUPAC Name: 2-[(1S,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopent-3-en-1-yl]ethyl methyl carbonate Traditional Name: carbonic acid 2-[(1S,2R)-2-(2-amino-6-chloro-purin-9-yl)cyclopent-3-en-1-yl]ethyl methyl ester Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OCCC1CC=CC1N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)OCC[C@@H]1CC=C[C@@H]1N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C14H16ClN5O3/c1-22-14(21)23-6-5-8-3-2-4-9(8)20-7-17-10-11(15)18-13(16)19-12(10)20/h2,4,7-9H,3,5-6H2,1H3,(H2,16,18,19)/t8-,9-/m0/s1