8-(3,4-dimethylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,4-dimethylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3,4-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dimethylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,4-dimethylphenoxy)-3,7-dimethyl-xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O3/c1-14-10-11-17(12-15(14)2)29-21-23-19-18(24(21)3)20(27)26(22(28)25(19)4)13-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3