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

Systemtic Name: N-[3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[3-[(4-ethyl-2-pyrimidinyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[3-[(4-ethylpyrimidin-2-yl)amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-phenyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1)NC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C)C

Isomeric SMILES

CCC1=NC(=NC=C1)NC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C)C

InChI

InChI=1S/C26H32N6O/c1-4-22-11-12-27-26(29-22)30-24-17-23(10-5-19(24)2)28-25(33)21-8-6-20(7-9-21)18-32-15-13-31(3)14-16-32/h5-12,17H,4,13-16,18H2,1-3H3,(H,28,33)(H,27,29,30)