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7-but-2-ynyl-2-dodecylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one

7-but-2-ynyl-2-dodecylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name:7-but-2-ynyl-2-dodecylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one
Openeye Name:7-but-2-ynyl-2-dodecylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one
CAS Name:7-but-2-ynyl-2-(dodecylthio)-1-methyl-8-(1-piperazinyl)-6-purinone
IUPAC Name:7-but-2-ynyl-2-dodecylsulfanyl-1-methyl-8-piperazin-1-ylpurin-6-one
Traditional Name:7-but-2-ynyl-2-(laurylthio)-1-methyl-8-piperazino-purin-6-one
Formula: C26H42N6OS
MolecularWeight: 486.71628
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C26H42N6OS/c1-4-6-8-9-10-11-12-13-14-15-21-34-26-29-23-22(24(33)30(26)3)32(18-7-5-2)25(28-23)31-19-16-27-17-20-31/h27H,4,6,8-21H2,1-3H3


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