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

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

Systemtic Name:2-[(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)methyl]benzenecarbonitrile
Openeye Name:2-[(7-but-2-ynyl-8-oxo-6-piperazin-1-yl-purin-9-yl)methyl]benzonitrile
CAS Name:2-[[7-but-2-ynyl-8-oxo-6-(1-piperazinyl)-9-purinyl]methyl]benzonitrile
IUPAC Name:2-[(7-but-2-ynyl-8-oxo-6-piperazin-1-ylpurin-9-yl)methyl]benzonitrile
Traditional Name:2-[(7-but-2-ynyl-8-keto-6-piperazino-purin-9-yl)methyl]benzonitrile
Formula: C21H21N7O
MolecularWeight: 387.43774
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H21N7O/c1-2-3-10-27-18-19(26-11-8-23-9-12-26)24-15-25-20(18)28(21(27)29)14-17-7-5-4-6-16(17)13-22/h4-7,15,23H,8-12,14H2,1H3


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