piperidin-3-yl N-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)-N-methyl-carbamate

Systemtic Name: piperidin-3-yl N-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)-N-methyl-carbamate Openeye Name: 3-piperidyl N-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-purin-8-yl)-N-methyl-carbamate CAS Name: N-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-8-purinyl)-N-methylcarbamic acid 3-piperidinyl ester IUPAC Name: piperidin-3-yl N-(7-but-2-ynyl-2-chloro-1-methyl-6-oxopurin-8-yl)-N-methylcarbamate Traditional Name: N-(7-but-2-ynyl-2-chloro-6-keto-1-methyl-purin-8-yl)-N-methyl-carbamic acid 3-piperidyl ester Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N(C)C(=O)OC3CCCNC3)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N(C)C(=O)OC3CCCNC3)N=C(N(C2=O)C)Cl

InChI

InChI=1S/C17H21ClN6O3/c1-4-5-9-24-12-13(20-15(18)22(2)14(12)25)21-16(24)23(3)17(26)27-11-7-6-8-19-10-11/h11,19H,6-10H2,1-3H3