8-(4-butanoylphenoxy)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-butanoylphenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-butanoylphenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione IUPAC Name: 8-(4-butanoylphenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-butyrylphenoxy)-1,3,7-trimethyl-xanthine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N4O4/c1-5-6-13(23)11-7-9-12(10-8-11)26-17-19-15-14(20(17)2)16(24)22(4)18(25)21(15)3/h7-10H,5-6H2,1-4H3