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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(propylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(propylthio)xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H22N4O2S/c1-5-8-21-14-15-11-10(18(14)7-6-9(2)3)12(19)16-13(20)17(11)4/h9H,5-8H2,1-4H3,(H,16,19,20)