tert-butyl N-(9-butyl-6-chloranyl-purin-2-yl)-N-prop-2-ynyl-carbamate

Systemtic Name: tert-butyl N-(9-butyl-6-chloranyl-purin-2-yl)-N-prop-2-ynyl-carbamate Openeye Name: tert-butyl N-(9-butyl-6-chloro-purin-2-yl)-N-prop-2-ynyl-carbamate CAS Name: N-(9-butyl-6-chloro-2-purinyl)-N-prop-2-ynylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(9-butyl-6-chloropurin-2-yl)-N-prop-2-ynylcarbamate Traditional Name: N-(9-butyl-6-chloro-purin-2-yl)-N-propargyl-carbamic acid tert-butyl ester Formula: C17H22ClN5O2 MolecularWeight: 363.84188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2Cl)N(CC#C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2Cl)N(CC#C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H22ClN5O2/c1-6-8-10-22-11-19-12-13(18)20-15(21-14(12)22)23(9-7-2)16(24)25-17(3,4)5/h2,11H,6,8-10H2,1,3-5H3