1-[4-[6-chloranyl-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[6-chloro-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C27H36Cl2N6O2S MolecularWeight: 579.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C27H36Cl2N6O2S/c1-19-17-34(13-14-35(19)24(36)16-27(2,3)4)23-15-22(29)30-26(31-23)38-18-25(37)33-11-9-32(10-12-33)21-8-6-5-7-20(21)28/h5-8,15,19H,9-14,16-18H2,1-4H3