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7-but-2-ynyl-2-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydropurin-6-one

7-but-2-ynyl-2-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydropurin-6-one

Systemtic Name:7-but-2-ynyl-2-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydropurin-6-one
Openeye Name:7-but-2-ynyl-2-methyl-8-piperazin-1-yl-2-thiazol-2-ylsulfanyl-1,3-dihydropurin-6-one
CAS Name:7-but-2-ynyl-2-methyl-8-(1-piperazinyl)-2-(2-thiazolylthio)-1,3-dihydropurin-6-one
IUPAC Name:7-but-2-ynyl-2-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydropurin-6-one
Traditional Name:7-but-2-ynyl-2-methyl-8-piperazino-2-(thiazol-2-ylthio)-1,3-dihydropurin-6-one
Formula: C17H21N7OS2
MolecularWeight: 403.52494
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(NC2=O)(C)SC3=NC=CS3)N=C1N4CCNCC4


Isomeric SMILES

CC#CCN1C2=C(NC(NC2=O)(C)SC3=NC=CS3)N=C1N4CCNCC4


InChI

InChI=1S/C17H21N7OS2/c1-3-4-8-24-12-13(20-15(24)23-9-5-18-6-10-23)21-17(2,22-14(12)25)27-16-19-7-11-26-16/h7,11,18,21H,5-6,8-10H2,1-2H3,(H,22,25)


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