7-[(4-methoxyphenyl)methyl]-1-(3-oxidanylidenebutyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-(3-oxidanylidenebutyl)-3-propyl-purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1-(3-oxobutyl)-3-propyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1-(3-oxobutyl)-3-propylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1-(3-oxobutyl)-3-propylpurine-2,6-dione Traditional Name: 1-(3-ketobutyl)-7-p-anisyl-3-propyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N4O4/c1-4-10-23-18-17(19(26)24(20(23)27)11-9-14(2)25)22(13-21-18)12-15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3