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

Systemtic Name: 8-bromanyl-7-phenacyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-phenacyl-purine-2,6-dione CAS Name: 8-bromo-7-phenacyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-phenacylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-phenacyl-xanthine Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)Br)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)Br)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN4O3/c21-19-22-17-16(24(19)12-15(26)14-9-5-2-6-10-14)18(27)23-20(28)25(17)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,23,27,28)