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

Systemtic Name: piperidin-3-yl N-(7-but-2-ynyl-2-chloranyl-6-oxidanylidene-3H-purin-8-yl)-N-methyl-carbamate Openeye Name: 3-piperidyl N-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-N-methyl-carbamate CAS Name: N-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-N-methylcarbamic acid 3-piperidinyl ester IUPAC Name: piperidin-3-yl N-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-N-methylcarbamate Traditional Name: N-(7-but-2-ynyl-2-chloro-6-keto-3H-purin-8-yl)-N-methyl-carbamic acid 3-piperidyl ester Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N(C)C(=O)OC3CCCNC3

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N(C)C(=O)OC3CCCNC3

InChI

InChI=1S/C16H19ClN6O3/c1-3-4-8-23-11-12(19-14(17)21-13(11)24)20-15(23)22(2)16(25)26-10-6-5-7-18-9-10/h10,18H,5-9H2,1-2H3,(H,19,21,24)