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

Systemtic Name: 2-[(7-but-2-ynyl-2-methoxy-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(7-but-2-ynyl-2-methoxy-8-oxo-6-piperazin-1-yl-purin-9-yl)methyl]benzonitrile CAS Name: 2-[[7-but-2-ynyl-2-methoxy-8-oxo-6-(1-piperazinyl)-9-purinyl]methyl]benzonitrile IUPAC Name: 2-[(7-but-2-ynyl-2-methoxy-8-oxo-6-piperazin-1-ylpurin-9-yl)methyl]benzonitrile Traditional Name: 2-[(7-but-2-ynyl-8-keto-2-methoxy-6-piperazino-purin-9-yl)methyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O2/c1-3-4-11-28-18-19(27-12-9-24-10-13-27)25-21(31-2)26-20(18)29(22(28)30)15-17-8-6-5-7-16(17)14-23/h5-8,24H,9-13,15H2,1-2H3