(E)-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H22N4O2S/c1-17-4-2-5-18(16-17)28-20-9-10-23-22(24-20)26-13-11-25(12-14-26)21(27)8-7-19-6-3-15-29-19/h2-10,15-16H,11-14H2,1H3/b8-7+