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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[2-(phenylthio)ethyl]xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-13(2)9-11-23-15(10-12-26-14-7-5-4-6-8-14)20-17-16(23)18(24)21-19(25)22(17)3/h4-8,13H,9-12H2,1-3H3,(H,21,24,25)