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

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: 3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]-N-(tetrahydrofurfuryl)benzamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/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/h1-4,6-9,11-12,18,23H,5,10,13-17,19H2,(H,28,33)(H,27,29,30)