7-dodecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-(methylthio)xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-23-15-16(20-19(23)26-3)22(2)18(25)21-17(15)24/h4-14H2,1-3H3,(H,21,24,25)