8-bromanyl-7-phenacyl-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-phenacyl-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-phenacyl-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-phenacyl-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-phenacyl-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-phenacyl-1-propyl-xanthine Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O3/c1-2-13-26-21(30)19-20(28(23(26)31)14-16-9-5-3-6-10-16)25-22(24)27(19)15-18(29)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3