1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-pyrimidine-2,4-dione Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-5-bromo-pyrimidine-2,4-dione CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-5-bromopyrimidine-2,4-dione IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromopyrimidine-2,4-dione Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-5-bromo-pyrimidine-2,4-quinone Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C(=O)NC2=O)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C(=O)NC2=O)Br

InChI

InChI=1S/C12H16BrN3O3/c13-9-7-16(12(19)14-11(9)18)8-10(17)15-5-3-1-2-4-6-15/h7H,1-6,8H2,(H,14,18,19)