3-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C21H16BrN3O3/c1-2-24-12-17(11-23)20(27)25(21(24)28)13-19(26)16-5-3-14(4-6-16)15-7-9-18(22)10-8-15/h3-10,12H,2,13H2,1H3