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

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

Systemtic Name:7-but-2-ynyl-2-ethylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one
Openeye Name:7-but-2-ynyl-2-ethylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one
CAS Name:7-but-2-ynyl-2-(ethylthio)-1-methyl-8-(1-piperazinyl)-6-purinone
IUPAC Name:7-but-2-ynyl-2-ethylsulfanyl-1-methyl-8-piperazin-1-ylpurin-6-one
Traditional Name:7-but-2-ynyl-2-(ethylthio)-1-methyl-8-piperazino-purin-6-one
Formula: C16H22N6OS
MolecularWeight: 346.45048
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C16H22N6OS/c1-4-6-9-22-12-13(18-15(22)21-10-7-17-8-11-21)19-16(24-5-2)20(3)14(12)23/h17H,5,7-11H2,1-3H3


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