tert-butyl 3-(2-azanyl-6-chloranyl-purin-9-yl)propanoate

Systemtic Name: tert-butyl 3-(2-azanyl-6-chloranyl-purin-9-yl)propanoate Openeye Name: tert-butyl 3-(2-amino-6-chloro-purin-9-yl)propanoate CAS Name: 3-(2-amino-6-chloro-9-purinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-amino-6-chloropurin-9-yl)propanoate Traditional Name: 3-(2-amino-6-chloro-purin-9-yl)propionic acid tert-butyl ester Formula: C12H16ClN5O2 MolecularWeight: 297.74074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=NC2=C1N=C(N=C2Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=NC2=C1N=C(N=C2Cl)N

InChI

InChI=1S/C12H16ClN5O2/c1-12(2,3)20-7(19)4-5-18-6-15-8-9(13)16-11(14)17-10(8)18/h6H,4-5H2,1-3H3,(H2,14,16,17)