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

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-[4-(methylthio)phenyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-methylsulfanylphenyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-[4-(methylthio)phenyl]xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)SC)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)SC)CCOC

InChI

InChI=1S/C19H24N4O3S/c1-12(2)11-23-17-15(18(24)21-19(23)25)22(9-10-26-3)16(20-17)13-5-7-14(27-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,21,24,25)