methyl (3R)-3-(2-azanyl-6-chloranyl-purin-9-yl)-3-(2-hydroxyethylsulfanyl)propanoate

Systemtic Name: methyl (3R)-3-(2-azanyl-6-chloranyl-purin-9-yl)-3-(2-hydroxyethylsulfanyl)propanoate Openeye Name: methyl (3R)-3-(2-amino-6-chloro-purin-9-yl)-3-(2-hydroxyethylsulfanyl)propanoate CAS Name: (3R)-3-(2-amino-6-chloro-9-purinyl)-3-(2-hydroxyethylthio)propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(2-amino-6-chloropurin-9-yl)-3-(2-hydroxyethylsulfanyl)propanoate Traditional Name: (3R)-3-(2-amino-6-chloro-purin-9-yl)-3-(2-hydroxyethylthio)propionic acid methyl ester Formula: C11H14ClN5O3S MolecularWeight: 331.77856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(N1C=NC2=C1N=C(N=C2Cl)N)SCCO

Isomeric SMILES

COC(=O)C[C@H](N1C=NC2=C1N=C(N=C2Cl)N)SCCO

InChI

InChI=1S/C11H14ClN5O3S/c1-20-7(19)4-6(21-3-2-18)17-5-14-8-9(12)15-11(13)16-10(8)17/h5-6,18H,2-4H2,1H3,(H2,13,15,16)/t6-/m1/s1