[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-7-yl)cyclopent-2-en-1-yl]methyl methyl carbonate

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-7-yl)cyclopent-2-en-1-yl]methyl methyl carbonate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)cyclopent-2-en-1-yl]methyl methyl carbonate CAS Name: carbonic acid [(1S,4R)-4-(2-amino-6-chloro-7-purinyl)-1-cyclopent-2-enyl]methyl methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-7-yl)cyclopent-2-en-1-yl]methyl methyl carbonate Traditional Name: carbonic acid [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)cyclopent-2-en-1-yl]methyl methyl ester Formula: C13H14ClN5O3 MolecularWeight: 323.73496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OCC1CC(C=C1)N2C=NC3=C2C(=NC(=N3)N)Cl

Isomeric SMILES

COC(=O)OC[C@H]1C[C@H](C=C1)N2C=NC3=C2C(=NC(=N3)N)Cl

InChI

InChI=1S/C13H14ClN5O3/c1-21-13(20)22-5-7-2-3-8(4-7)19-6-16-11-9(19)10(14)17-12(15)18-11/h2-3,6-8H,4-5H2,1H3,(H2,15,17,18)/t7-,8+/m1/s1