3-butyl-8-(4-methoxy-3-methyl-phenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-methoxy-3-methyl-phenyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(4-methoxy-3-methyl-phenyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(4-methoxy-3-methylphenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(4-methoxy-3-methylphenyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(4-methoxy-3-methyl-phenyl)-7-methyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)C)C

InChI

InChI=1S/C18H22N4O3/c1-5-6-9-22-16-14(17(23)20-18(22)24)21(3)15(19-16)12-7-8-13(25-4)11(2)10-12/h7-8,10H,5-6,9H2,1-4H3,(H,20,23,24)