3-butyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-2,6-dione Openeye Name: 8-(3-benzyloxyphenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-2,6-dione Traditional Name: 8-(3-benzoxyphenyl)-3-butyl-7-methyl-xanthine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N4O3/c1-3-4-13-27-21-19(22(28)25-23(27)29)26(2)20(24-21)17-11-8-12-18(14-17)30-15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,28,29)