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

Systemtic Name: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(nonylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(nonylthio)-7H-purine-2,6-quinone Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H26N4O2S/c1-4-5-6-7-8-9-10-11-23-15-17-12-13(18-15)19(2)16(22)20(3)14(12)21/h4-11H2,1-3H3,(H,17,18)