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

Systemtic Name: 8-(3-bromanyl-4-prop-2-enoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-bromo-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-prop-2-enoxyphenyl)-3-butyl-7-methylpurine-2,6-dione IUPAC Name: 8-(3-bromo-4-prop-2-enoxyphenyl)-3-butyl-7-methylpurine-2,6-dione Traditional Name: 8-(4-allyloxy-3-bromo-phenyl)-3-butyl-7-methyl-xanthine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC=C)Br)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC=C)Br)C

InChI

InChI=1S/C19H21BrN4O3/c1-4-6-9-24-17-15(18(25)22-19(24)26)23(3)16(21-17)12-7-8-14(13(20)11-12)27-10-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H,22,25,26)