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3-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione

3-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name:3-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:3-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione
CAS Name:3-butyl-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:3-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:3-butyl-7-but-2-ynyl-1-methyl-8-piperazino-xanthine
Formula: C18H26N6O2
MolecularWeight: 358.43804
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C18H26N6O2/c1-4-6-10-23-14-15(20-17(23)22-12-8-19-9-13-22)24(11-7-5-2)18(26)21(3)16(14)25/h19H,5,7-13H2,1-3H3


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