3,7-bis(2-methylpropyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-(4-methylsulfanylphenyl)purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-8-[4-(methylthio)phenyl]purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-8-[4-(methylthio)phenyl]xanthine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)SC)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)SC)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C20H26N4O2S/c1-12(2)10-23-16-18(24(11-13(3)4)20(26)22-19(16)25)21-17(23)14-6-8-15(27-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3,(H,22,25,26)