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

Systemtic Name: 8-methyl-7-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-[2-(4-benzyloxyphenyl)ethyl]-8-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-methyl-7-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-methyl-7-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 7-[2-(4-benzoxyphenyl)ethyl]-8-methyl-1,3-dipropyl-xanthine Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-4-16-30-25-24(26(32)31(17-5-2)27(30)33)29(20(3)28-25)18-15-21-11-13-23(14-12-21)34-19-22-9-7-6-8-10-22/h6-14H,4-5,15-19H2,1-3H3