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

Systemtic Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-thienylmethyl)benzamide CAS Name: 3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]-N-(2-thenyl)benzamide Formula: C26H26N6OS MolecularWeight: 470.58924

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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)NCC5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C26H26N6OS/c33-25(28-19-23-10-5-17-34-23)20-6-4-7-21(18-20)29-24-11-12-27-26(30-24)32-15-13-31(14-16-32)22-8-2-1-3-9-22/h1-12,17-18H,13-16,19H2,(H,28,33)(H,27,29,30)