(E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-4-pyrimidinyl]amino]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-3-(2-thienyl)acrylamide Formula: C23H25ClN6O2S MolecularWeight: 485.0016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C=CC2=CC=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)/C=C/C2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN6O2S/c1-16(31)25-10-11-26-20-15-21(30-23(29-20)17-4-6-18(24)7-5-17)27-12-13-28-22(32)9-8-19-3-2-14-33-19/h2-9,14-15H,10-13H2,1H3,(H,25,31)(H,28,32)(H2,26,27,29,30)/b9-8+