8-ethyl-7-methyl-1-[(4-phenylmethoxyphenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 8-ethyl-7-methyl-1-[(4-phenylmethoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-ethyl-7-methyl-1-[(4-phenylmethoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-ethyl-7-methyl-1-[(4-phenylmethoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-(4-benzoxybenzyl)-8-ethyl-7-methyl-3-propyl-xanthine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=N2)CC)C

InChI

InChI=1S/C25H28N4O3/c1-4-15-28-23-22(27(3)21(5-2)26-23)24(30)29(25(28)31)16-18-11-13-20(14-12-18)32-17-19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3