8-decylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-decylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(decylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H32N4O2S/c1-5-6-7-8-9-10-11-12-13-27-20-21-17-16(24(20)14-15(2)3)18(25)22-19(26)23(17)4/h2,5-14H2,1,3-4H3,(H,22,25,26)