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

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5/c1-5-6-12-28-20-23(29(25(31)27-24(20)30)15-16-10-8-7-9-11-16)26-22(28)17-13-18(32-2)21(34-4)19(14-17)33-3/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,27,30,31)