8-(4-phenylmethoxyphenyl)-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(4-phenylmethoxyphenyl)-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-benzyl-8-(4-benzyloxyphenyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(4-phenylmethoxyphenyl)-7-(phenylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-benzyl-8-(4-phenylmethoxyphenyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 8-(4-benzoxyphenyl)-7-benzyl-1,3-dipropyl-xanthine Formula: C31H32N4O3 MolecularWeight: 508.61078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O3/c1-3-19-33-29-27(30(36)34(20-4-2)31(33)37)35(21-23-11-7-5-8-12-23)28(32-29)25-15-17-26(18-16-25)38-22-24-13-9-6-10-14-24/h5-18H,3-4,19-22H2,1-2H3