8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(3-benzyloxyphenyl)-7-propyl-purine-2,6-dione CAS Name: 8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(3-phenylmethoxyphenyl)-7-propylpurine-2,6-dione Traditional Name: 8-(3-benzoxyphenyl)-3-benzyl-7-propyl-xanthine Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-2-16-31-24-26(32(28(34)30-27(24)33)18-20-10-5-3-6-11-20)29-25(31)22-14-9-15-23(17-22)35-19-21-12-7-4-8-13-21/h3-15,17H,2,16,18-19H2,1H3,(H,30,33,34)