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

Systemtic Name: 8-bromanyl-3-methyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(1-phenylethyl)xanthine Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C14H13BrN4O2/c1-8(9-6-4-3-5-7-9)19-10-11(16-13(19)15)18(2)14(21)17-12(10)20/h3-8H,1-2H3,(H,17,20,21)