methyl (3S,4R)-4-(6-chloranylpurin-9-yl)-3-oxidanyl-cyclopentene-1-carboxylate

Systemtic Name: methyl (3S,4R)-4-(6-chloranylpurin-9-yl)-3-oxidanyl-cyclopentene-1-carboxylate Openeye Name: methyl (3S,4R)-4-(6-chloropurin-9-yl)-3-hydroxy-cyclopentene-1-carboxylate CAS Name: (3S,4R)-4-(6-chloro-9-purinyl)-3-hydroxy-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(6-chloropurin-9-yl)-3-hydroxycyclopentene-1-carboxylate Traditional Name: (3S,4R)-4-(6-chloropurin-9-yl)-3-hydroxy-cyclopentene-1-carboxylic acid methyl ester Formula: C12H11ClN4O3 MolecularWeight: 294.69374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C1)N2C=NC3=C2N=CN=C3Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O3/c1-20-12(19)6-2-7(8(18)3-6)17-5-16-9-10(13)14-4-15-11(9)17/h3-5,7-8,18H,2H2,1H3/t7-,8+/m1/s1