N-[4-[2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]ethanamide Openeye Name: N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide CAS Name: N-[4-[2-[3-[(4-acetyl-1-piperazinyl)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]acetamide IUPAC Name: N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide Traditional Name: N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H26N6O3/c1-17(32)27-21-8-6-19(7-9-21)23-10-11-26-25(29-23)28-22-5-3-4-20(16-22)24(34)31-14-12-30(13-15-31)18(2)33/h3-11,16H,12-15H2,1-2H3,(H,27,32)(H,26,28,29)