8-bromanyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-[2-keto-2-(4-methoxyphenyl)ethyl]-1-propyl-xanthine Formula: C24H23BrN4O4 MolecularWeight: 511.36782

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)OC)Br)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)OC)Br)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23BrN4O4/c1-3-13-27-22(31)20-21(29(24(27)32)14-16-7-5-4-6-8-16)26-23(25)28(20)15-19(30)17-9-11-18(33-2)12-10-17/h4-12H,3,13-15H2,1-2H3