piperidin-3-yl N-[7-but-2-ynyl-2,6-bis(chloranyl)purin-8-yl]-N-methyl-carbamate

Systemtic Name: piperidin-3-yl N-[7-but-2-ynyl-2,6-bis(chloranyl)purin-8-yl]-N-methyl-carbamate Openeye Name: 3-piperidyl N-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)-N-methyl-carbamate CAS Name: N-(7-but-2-ynyl-2,6-dichloro-8-purinyl)-N-methylcarbamic acid 3-piperidinyl ester IUPAC Name: piperidin-3-yl N-(7-but-2-ynyl-2,6-dichloropurin-8-yl)-N-methylcarbamate Traditional Name: N-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)-N-methyl-carbamic acid 3-piperidyl ester Formula: C16H18Cl2N6O2 MolecularWeight: 397.25912

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N(C)C(=O)OC3CCCNC3

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N(C)C(=O)OC3CCCNC3

InChI

InChI=1S/C16H18Cl2N6O2/c1-3-4-8-24-11-12(17)20-14(18)21-13(11)22-15(24)23(2)16(25)26-10-6-5-7-19-9-10/h10,19H,5-9H2,1-2H3