(E)-3-[5-(4-bromophenyl)thiophen-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-(4-bromophenyl)thiophen-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-(4-bromophenyl)-2-thienyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[5-(4-bromophenyl)-2-thiophenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-(4-bromophenyl)thiophen-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[5-(4-bromophenyl)-2-thienyl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4OS/c22-17-4-2-16(3-5-17)19-8-6-18(28-19)7-9-20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2/b9-7+