N-[2-[[6-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-[2-(methylthio)nicotinoyl]piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C25H29N7O2S/c1-18(33)26-11-12-27-21-17-22(30-23(29-21)19-7-4-3-5-8-19)31-13-15-32(16-14-31)25(34)20-9-6-10-28-24(20)35-2/h3-10,17H,11-16H2,1-2H3,(H,26,33)(H,27,29,30)