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

Systemtic Name: [2-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [2-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-purin-8-yl)-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [2-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-8-purinyl)-3-piperidinyl] ester IUPAC Name: [2-(7-but-2-ynyl-2-chloro-1-methyl-6-oxopurin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [2-(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#CCN1C(=NC2=C1C(=O)N(C(=N2)Cl)C)C3C(CCCN3)OC(=O)NC(C)(C)C

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=N2)Cl)C)C3C(CCCN3)OC(=O)NC(C)(C)C

InChI

InChI=1S/C20H27ClN6O3/c1-6-7-11-27-14-15(24-18(21)26(5)17(14)28)23-16(27)13-12(9-8-10-22-13)30-19(29)25-20(2,3)4/h12-13,22H,8-11H2,1-5H3,(H,25,29)