N-pentyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-pentyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-pentyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-pentyl-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-pentyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-amyl-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N6O/c1-2-3-7-14-27-25(33)21-9-8-10-22(20-21)29-24-13-15-28-26(30-24)32-18-16-31(17-19-32)23-11-5-4-6-12-23/h4-6,8-13,15,20H,2-3,7,14,16-19H2,1H3,(H,27,33)(H,28,29,30)