N-[(5-methylfuran-2-yl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2/c1-20-10-11-24(35-20)19-29-26(34)21-6-5-7-22(18-21)30-25-12-13-28-27(31-25)33-16-14-32(15-17-33)23-8-3-2-4-9-23/h2-13,18H,14-17,19H2,1H3,(H,29,34)(H,28,30,31)