(E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]amino]ethyl]-3-(3-cyanophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]amino]ethyl]-3-(3-cyanophenyl)prop-2-enamide Openeye Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]amino]ethyl]-3-(3-cyanophenyl)prop-2-enamide CAS Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methyl-4-pyrimidinyl]amino]ethyl]-3-(3-cyanophenyl)-2-propenamide IUPAC Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-3-(3-cyanophenyl)prop-2-enamide Traditional Name: (E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]amino]ethyl]-3-(3-cyanophenyl)acrylamide Formula: C27H28ClN7O2 MolecularWeight: 518.00992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=C(C=C2)Cl)NCCNC(=O)C=CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=C(C=C2)Cl)NCCNC(=O)/C=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H28ClN7O2/c1-18-25(32-14-12-30-19(2)36)34-27(22-7-9-23(28)10-8-22)35-26(18)33-15-13-31-24(37)11-6-20-4-3-5-21(16-20)17-29/h3-11,16H,12-15H2,1-2H3,(H,30,36)(H,31,37)(H2,32,33,34,35)/b11-6+