N-[3-[(5-cyano-4-thiophen-2-yl-pyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[3-[(5-cyano-4-thiophen-2-yl-pyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[3-[[5-cyano-4-(2-thienyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[3-[(5-cyano-4-thiophen-2-yl-2-pyrimidinyl)amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[3-[(5-cyano-4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[3-[[5-cyano-4-(2-thienyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C28H27N7OS MolecularWeight: 509.62528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=C(C(=N4)C5=CC=CS5)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=C(C(=N4)C5=CC=CS5)C#N

InChI

InChI=1S/C28H27N7OS/c1-34-11-13-35(14-12-34)19-20-7-9-21(10-8-20)27(36)31-23-4-2-5-24(16-23)32-28-30-18-22(17-29)26(33-28)25-6-3-15-37-25/h2-10,15-16,18H,11-14,19H2,1H3,(H,31,36)(H,30,32,33)