2-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)ethanenitrile

Systemtic Name: 2-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)ethanenitrile Openeye Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)acetonitrile CAS Name: 2-[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]acetonitrile IUPAC Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)acetonitrile Traditional Name: 2-(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)acetonitrile Formula: C15H16ClN7O MolecularWeight: 345.78684

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC#N

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC#N

InChI

InChI=1S/C15H16ClN7O/c1-2-3-7-22-11-12(21-9-5-18-6-10-21)19-14(16)20-13(11)23(8-4-17)15(22)24/h18H,5-10H2,1H3