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

Systemtic Name: [1-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-purin-8-yl)-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-8-purinyl)-3-piperidinyl] ester IUPAC Name: [1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxopurin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2-chloro-6-keto-1-methyl-purin-8-yl)-3-piperidyl] ester Formula: C20H27ClN6O3 MolecularWeight: 434.91978

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)OC(=O)NC(C)(C)C)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)OC(=O)NC(C)(C)C)N=C(N(C2=O)C)Cl

InChI

InChI=1S/C20H27ClN6O3/c1-6-7-11-27-14-15(22-17(21)25(5)16(14)28)23-18(27)26-10-8-9-13(12-26)30-19(29)24-20(2,3)4/h13H,8-12H2,1-5H3,(H,24,29)