8-bromanyl-1,3-dimethyl-9-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-(4-oxopentyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-(4-oxopentyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-(4-oxopentyl)purine-2,6-dione Traditional Name: 8-bromo-9-(4-ketopentyl)-1,3-dimethyl-xanthine Formula: C12H15BrN4O3 MolecularWeight: 343.1765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

Isomeric SMILES

CC(=O)CCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

InChI

InChI=1S/C12H15BrN4O3/c1-7(18)5-4-6-17-9-8(14-11(17)13)10(19)16(3)12(20)15(9)2/h4-6H2,1-3H3