S-phenyl 6-heptylsulfanylpurine-9-carbothioate

Systemtic Name: S-phenyl 6-heptylsulfanylpurine-9-carbothioate Openeye Name: S-phenyl 6-heptylsulfanylpurine-9-carbothioate CAS Name: 6-(heptylthio)-9-purinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 6-heptylsulfanylpurine-9-carbothioate Traditional Name: 6-(heptylthio)purine-9-carbothioic acid S-phenyl ester Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=NC2=C1N=CN2C(=O)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCSC1=NC=NC2=C1N=CN2C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C19H22N4OS2/c1-2-3-4-5-9-12-25-18-16-17(20-13-21-18)23(14-22-16)19(24)26-15-10-7-6-8-11-15/h6-8,10-11,13-14H,2-5,9,12H2,1H3