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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-bromo-1,3-dimethyl-xanthine Formula: C10H11BrN4O3 MolecularWeight: 315.12334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11BrN4O3/c1-5(16)4-15-6-7(12-9(15)11)13(2)10(18)14(3)8(6)17/h4H2,1-3H3