1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 8-[(E)-2-(4-benzyloxyphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 8-[(E)-2-(4-benzoxyphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N4O3/c1-4-28-23-22(24(30)29(5-2)25(28)31)27(3)21(26-23)16-13-18-11-14-20(15-12-18)32-17-19-9-7-6-8-10-19/h6-16H,4-5,17H2,1-3H3/b16-13+