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

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-7-yl)cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-7-purinyl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-7-yl)cyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)cyclopent-2-en-1-yl]methyl ester Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5O2/c1-7(20)21-5-8-2-3-9(4-8)19-6-16-12-10(19)11(14)17-13(15)18-12/h2-3,6,8-9H,4-5H2,1H3,(H2,15,17,18)/t8-,9+/m1/s1