3-(phenylmethyl)-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione

Systemtic Name: 3-(phenylmethyl)-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 3-(phenylmethyl)-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-propyl-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O5/c1-5-11-27-19-22(28(24(30)26-23(19)29)14-15-9-7-6-8-10-15)25-21(27)16-12-17(31-2)20(33-4)18(13-16)32-3/h6-10,12-13H,5,11,14H2,1-4H3,(H,26,29,30)