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

Systemtic Name: N-hexyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-hexyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-hexyl-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-hexyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-hexyl-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O/c1-2-3-4-8-15-28-26(34)22-10-9-11-23(21-22)30-25-14-16-29-27(31-25)33-19-17-32(18-20-33)24-12-6-5-7-13-24/h5-7,9-14,16,21H,2-4,8,15,17-20H2,1H3,(H,28,34)(H,29,30,31)