8-decylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(decylthio)-7-isopropyl-3-methyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

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