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

Systemtic Name: 2-[(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)methyl]benzonitrile CAS Name: 2-[[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]methyl]benzonitrile IUPAC Name: 2-[(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)methyl]benzonitrile Traditional Name: 2-[(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)methyl]benzonitrile Formula: C21H20ClN7O MolecularWeight: 421.8828

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC4=CC=CC=C4C#N

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC4=CC=CC=C4C#N

InChI

InChI=1S/C21H20ClN7O/c1-2-3-10-28-17-18(27-11-8-24-9-12-27)25-20(22)26-19(17)29(21(28)30)14-16-7-5-4-6-15(16)13-23/h4-7,24H,8-12,14H2,1H3