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

Systemtic Name: 2-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)benzenecarbonitrile Openeye Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)benzonitrile CAS Name: 2-[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]benzonitrile IUPAC Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)benzonitrile Traditional Name: 2-(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)benzonitrile Formula: C20H18ClN7O MolecularWeight: 407.85622

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18ClN7O/c1-2-3-10-27-16-17(26-11-8-23-9-12-26)24-19(21)25-18(16)28(20(27)29)15-7-5-4-6-14(15)13-22/h4-7,23H,8-12H2,1H3