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

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[2-methyl-5-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[2-methyl-5-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[2-methyl-5-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[2-methyl-5-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[2-methyl-5-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C=N2)C3=CSC=C3)NC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C=N2)C3=CSC=C3)NC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C

InChI

InChI=1S/C28H30N6OS/c1-20-3-8-25(31-28-29-16-24(17-30-28)23-9-14-36-19-23)15-26(20)32-27(35)22-6-4-21(5-7-22)18-34-12-10-33(2)11-13-34/h3-9,14-17,19H,10-13,18H2,1-2H3,(H,32,35)(H,29,30,31)