5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-(4-bromophenyl)acryloyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-quinone Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C(C(=O)NC2=O)C(=O)C=CC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C(C(=O)NC2=O)C(=O)/C=C/C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H17BrN2O4/c22-16-9-6-15(7-10-16)8-11-17(25)18-19(26)23-21(28)24(20(18)27)13-12-14-4-2-1-3-5-14/h1-11,27H,12-13H2,(H,23,26,28)/b11-8+