6-(2-oxidanylideneoctylsulfanyl)-3,7-dihydropurin-2-one

Systemtic Name: 6-(2-oxidanylideneoctylsulfanyl)-3,7-dihydropurin-2-one Openeye Name: 6-(2-oxooctylsulfanyl)-3,7-dihydropurin-2-one CAS Name: 6-(2-oxooctylthio)-3,7-dihydropurin-2-one IUPAC Name: 6-(2-oxooctylsulfanyl)-3,7-dihydropurin-2-one Traditional Name: 6-(2-ketooctylthio)-3,7-dihydropurin-2-one Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CSC1=NC(=O)NC2=C1NC=N2

Isomeric SMILES

CCCCCCC(=O)CSC1=NC(=O)NC2=C1NC=N2

InChI

InChI=1S/C13H18N4O2S/c1-2-3-4-5-6-9(18)7-20-12-10-11(15-8-14-10)16-13(19)17-12/h8H,2-7H2,1H3,(H2,14,15,16,17,19)