(E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-3-(2-thienyl)acrylamide Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C=CC3=CC=CS3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CS3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H24N6OS/c1-18-16-23(30-11-13-31(14-12-30)25-26-9-3-10-27-25)29-22-7-5-19(17-21(18)22)28-24(32)8-6-20-4-2-15-33-20/h2-10,15-17H,11-14H2,1H3,(H,28,32)/b8-6+