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

Systemtic Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CC=CS5

InChI

InChI=1S/C27H28N6OS/c34-26(28-13-11-24-10-5-19-35-24)21-6-4-7-22(20-21)30-25-12-14-29-27(31-25)33-17-15-32(16-18-33)23-8-2-1-3-9-23/h1-10,12,14,19-20H,11,13,15-18H2,(H,28,34)(H,29,30,31)