1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[[4-chloro-6-[4-(2-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 2-[[4-chloro-6-[4-(2-chlorophenyl)piperazino]pyrimidin-2-yl]thio]-1-(4-piperonylpiperazino)ethanone Formula: C28H30Cl2N6O3S MolecularWeight: 601.5472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC=CC=C6Cl

InChI

InChI=1S/C28H30Cl2N6O3S/c29-21-3-1-2-4-22(21)34-11-13-35(14-12-34)26-16-25(30)31-28(32-26)40-18-27(37)36-9-7-33(8-10-36)17-20-5-6-23-24(15-20)39-19-38-23/h1-6,15-16H,7-14,17-19H2