8-(3-bromanyl-4-prop-2-enoxy-phenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-prop-2-enoxy-phenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7-propyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-prop-2-enoxyphenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(3-bromo-4-prop-2-enoxyphenyl)-7-propylpurine-2,6-dione Traditional Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7-propyl-xanthine Formula: C24H23BrN4O3 MolecularWeight: 495.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN4O3/c1-3-12-28-20-22(26-21(28)17-10-11-19(18(25)14-17)32-13-4-2)29(24(31)27-23(20)30)15-16-8-6-5-7-9-16/h4-11,14H,2-3,12-13,15H2,1H3,(H,27,30,31)