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7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione

7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name:7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:7-but-2-ynyl-3-(2-ethylbutyl)-1-methyl-8-piperazino-xanthine
Formula: C20H30N6O2
MolecularWeight: 386.4912
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCC(CC)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C20H30N6O2/c1-5-8-11-25-16-17(22-19(25)24-12-9-21-10-13-24)26(14-15(6-2)7-3)20(28)23(4)18(16)27/h15,21H,6-7,9-14H2,1-4H3


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