tert-butyl N-[2-(2-azanyl-6-chloranyl-purin-9-yl)-1-cyano-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-azanyl-6-chloranyl-purin-9-yl)-1-cyano-ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-amino-6-chloro-purin-9-yl)-1-cyano-ethyl]carbamate CAS Name: N-[2-(2-amino-6-chloro-9-purinyl)-1-cyanoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-amino-6-chloropurin-9-yl)-1-cyanoethyl]carbamate Traditional Name: N-[2-(2-amino-6-chloro-purin-9-yl)-1-cyano-ethyl]carbamic acid tert-butyl ester Formula: C13H16ClN7O2 MolecularWeight: 337.76484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=NC2=C1N=C(N=C2Cl)N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=NC2=C1N=C(N=C2Cl)N)C#N

InChI

InChI=1S/C13H16ClN7O2/c1-13(2,3)23-12(22)18-7(4-15)5-21-6-17-8-9(14)19-11(16)20-10(8)21/h6-7H,5H2,1-3H3,(H,18,22)(H2,16,19,20)