8-bromanyl-3-methyl-1-(3-methylbutyl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-1-(3-methylbutyl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-bromo-1-isopentyl-3-methyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-1-(3-methylbutyl)-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-1-(3-methylbutyl)-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-bromo-1-isoamyl-7-(2-keto-1-methyl-propyl)-3-methyl-xanthine Formula: C15H21BrN4O3 MolecularWeight: 385.25624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)Br)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)Br)N(C1=O)C

InChI

InChI=1S/C15H21BrN4O3/c1-8(2)6-7-19-13(22)11-12(18(5)15(19)23)17-14(16)20(11)9(3)10(4)21/h8-9H,6-7H2,1-5H3