3-methyl-7-(3-methylbutyl)-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(nonylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(nonylthio)xanthine Formula: C20H34N4O2S MolecularWeight: 394.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H34N4O2S/c1-5-6-7-8-9-10-11-14-27-20-21-17-16(24(20)13-12-15(2)3)18(25)22-19(26)23(17)4/h15H,5-14H2,1-4H3,(H,22,25,26)