[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-7-yl)-3-methyl-cyclopent-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-7-yl)-3-methyl-cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)-3-methyl-cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-7-purinyl)-3-methyl-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-7-yl)-3-methylcyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-purin-7-yl)-3-methyl-cyclopent-2-en-1-yl]methyl ester Formula: C14H16ClN5O2 MolecularWeight: 321.76214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC1N2C=NC3=C2C(=NC(=N3)N)Cl)COC(=O)C

Isomeric SMILES

CC1=C[C@H](C[C@H]1N2C=NC3=C2C(=NC(=N3)N)Cl)COC(=O)C

InChI

InChI=1S/C14H16ClN5O2/c1-7-3-9(5-22-8(2)21)4-10(7)20-6-17-13-11(20)12(15)18-14(16)19-13/h3,6,9-10H,4-5H2,1-2H3,(H2,16,18,19)/t9-,10-/m1/s1