3-methyl-8-(2-methylpropylsulfanyl)-7-nonyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-nonyl-purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-nonylpurine-2,6-dione Traditional Name: 8-(isobutylthio)-3-methyl-7-nonyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-5-6-7-8-9-10-11-12-23-15-16(20-19(23)26-13-14(2)3)22(4)18(25)21-17(15)24/h14H,5-13H2,1-4H3,(H,21,24,25)