3-methyl-8-nonylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-nonylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(nonylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-nonylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(nonylthio)xanthine Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H28N4O2S/c1-4-6-7-8-9-10-11-13-25-18-19-15-14(22(18)12-5-2)16(23)20-17(24)21(15)3/h5H,2,4,6-13H2,1,3H3,(H,20,23,24)