1,3-dimethyl-8-undecylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-undecylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-undecylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(undecylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-undecylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(undecylthio)-7H-purine-2,6-quinone Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H30N4O2S/c1-4-5-6-7-8-9-10-11-12-13-25-17-19-14-15(20-17)21(2)18(24)22(3)16(14)23/h4-13H2,1-3H3,(H,19,20)