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1-(11-isothiocyanatoundecyl)-3,7-dimethyl-purine-2,6-dione

1-(11-isothiocyanatoundecyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name:1-(11-isothiocyanatoundecyl)-3,7-dimethyl-purine-2,6-dione
Openeye Name:1-(11-isothiocyanatoundecyl)-3,7-dimethyl-purine-2,6-dione
CAS Name:1-(11-isothiocyanatoundecyl)-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-(11-isothiocyanatoundecyl)-3,7-dimethylpurine-2,6-dione
Traditional Name:1-(11-isothiocyanatoundecyl)-3,7-dimethyl-xanthine
Formula: C19H29N5O2S
MolecularWeight: 391.53086
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCN=C=S


Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCN=C=S


InChI

InChI=1S/C19H29N5O2S/c1-22-14-21-17-16(22)18(25)24(19(26)23(17)2)13-11-9-7-5-3-4-6-8-10-12-20-15-27/h14H,3-13H2,1-2H3


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