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

Systemtic Name: methyl 3-(2-azanyl-6-chloranyl-purin-9-yl)-2-dimethoxyphosphoryl-propanoate Openeye Name: methyl 3-(2-amino-6-chloro-purin-9-yl)-2-dimethoxyphosphoryl-propanoate CAS Name: 3-(2-amino-6-chloro-9-purinyl)-2-dimethoxyphosphorylpropanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-6-chloropurin-9-yl)-2-dimethoxyphosphorylpropanoate Traditional Name: 3-(2-amino-6-chloro-purin-9-yl)-2-dimethoxyphosphoryl-propionic acid methyl ester Formula: C11H15ClN5O5P MolecularWeight: 363.694061

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1C=NC2=C1N=C(N=C2Cl)N)P(=O)(OC)OC

Isomeric SMILES

COC(=O)C(CN1C=NC2=C1N=C(N=C2Cl)N)P(=O)(OC)OC

InChI

InChI=1S/C11H15ClN5O5P/c1-20-10(18)6(23(19,21-2)22-3)4-17-5-14-7-8(12)15-11(13)16-9(7)17/h5-6H,4H2,1-3H3,(H2,13,15,16)