8-bromanyl-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-(1-phenylethyl)xanthine Formula: C15H15BrN4O2 MolecularWeight: 363.2092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H15BrN4O2/c1-9(10-7-5-4-6-8-10)20-11-12(17-14(20)16)18(2)15(22)19(3)13(11)21/h4-9H,1-3H3