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(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl) butanoate

(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl) butanoate

Systemtic Name:(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl) butanoate
Openeye Name:(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl) butanoate
CAS Name:butanoic acid [7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl] ester
IUPAC Name:(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl) butanoate
Traditional Name:butyric acid (7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl) ester
Formula: C18H24N6O3
MolecularWeight: 372.42156
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCCC(=O)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C18H24N6O3/c1-4-6-10-24-14-15(20-17(24)23-11-8-19-9-12-23)21-18(22(3)16(14)26)27-13(25)7-5-2/h19H,5,7-12H2,1-3H3


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