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

Systemtic Name: [1-[7-but-2-ynyl-2,6-bis(chloranyl)purin-8-yl]piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2,6-dichloro-8-purinyl)-3-piperidinyl] ester IUPAC Name: [1-(7-but-2-ynyl-2,6-dichloropurin-8-yl)piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)-3-piperidyl] ester Formula: C19H24Cl2N6O2 MolecularWeight: 439.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N3CCCC(C3)OC(=O)NC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N3CCCC(C3)OC(=O)NC(C)(C)C

InChI

InChI=1S/C19H24Cl2N6O2/c1-5-6-10-27-13-14(20)22-16(21)23-15(13)24-17(27)26-9-7-8-12(11-26)29-18(28)25-19(2,3)4/h12H,7-11H2,1-4H3,(H,25,28)