[1-(7-but-2-ynyl-2-chloranyl-6-oxidanylidene-3H-purin-8-yl)piperidin-3-yl] N-tert-butylcarbamate

Systemtic Name: [1-(7-but-2-ynyl-2-chloranyl-6-oxidanylidene-3H-purin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-3-piperidinyl] ester IUPAC Name: [1-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2-chloro-6-keto-3H-purin-8-yl)-3-piperidyl] ester Formula: C19H25ClN6O3 MolecularWeight: 420.8932

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCCC(C3)OC(=O)NC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCCC(C3)OC(=O)NC(C)(C)C

InChI

InChI=1S/C19H25ClN6O3/c1-5-6-10-26-13-14(21-16(20)23-15(13)27)22-17(26)25-9-7-8-12(11-25)29-18(28)24-19(2,3)4/h12H,7-11H2,1-4H3,(H,24,28)(H,21,23,27)