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

Systemtic Name: N-[2-[[6-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-[2-(methylthio)benzoyl]piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O2S/c1-19(33)27-12-13-28-23-18-24(30-25(29-23)20-8-4-3-5-9-20)31-14-16-32(17-15-31)26(34)21-10-6-7-11-22(21)35-2/h3-11,18H,12-17H2,1-2H3,(H,27,33)(H,28,29,30)