2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-(4-benzhydrylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-(4-benzhydrylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-1-(4-benzhydrylpiperazino)ethanone Formula: C30H35ClN6O2S MolecularWeight: 579.1559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H35ClN6O2S/c1-22-20-36(17-18-37(22)23(2)38)27-19-26(31)32-30(33-27)40-21-28(39)34-13-15-35(16-14-34)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19,22,29H,13-18,20-21H2,1-2H3