2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C23H23N5O3S MolecularWeight: 449.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c1-17-15-21(18-5-3-2-4-6-18)25-23(24-17)32-16-22(29)27-13-11-26(12-14-27)19-7-9-20(10-8-19)28(30)31/h2-10,15H,11-14,16H2,1H3