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6-phenethylsulfanyl-3,7-dihydropurin-2-one

6-phenethylsulfanyl-3,7-dihydropurin-2-one

Systemtic Name:6-phenethylsulfanyl-3,7-dihydropurin-2-one
Openeye Name:6-phenethylsulfanyl-3,7-dihydropurin-2-one
CAS Name:6-(phenethylthio)-3,7-dihydropurin-2-one
IUPAC Name:6-phenethylsulfanyl-3,7-dihydropurin-2-one
Traditional Name:6-(phenethylthio)-3,7-dihydropurin-2-one
Formula: C13H12N4OS
MolecularWeight: 272.32558
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)NC3=C2NC=N3


Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)NC3=C2NC=N3


InChI

InChI=1S/C13H12N4OS/c18-13-16-11-10(14-8-15-11)12(17-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,17,18)


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