[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl] methyl carbonate

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl] methyl carbonate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl] methyl carbonate CAS Name: carbonic acid [(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl] methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl] methyl carbonate Traditional Name: carbonic acid [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl] methyl ester Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1CC(C=C1)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)O[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C12H12ClN5O3/c1-20-12(19)21-7-3-2-6(4-7)18-5-15-8-9(13)16-11(14)17-10(8)18/h2-3,5-7H,4H2,1H3,(H2,14,16,17)/t6-,7+/m0/s1