2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C25H33ClN6O3S MolecularWeight: 533.08592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H33ClN6O3S/c1-4-29-8-10-30(11-9-29)23(33)17-36-25-27-21(26)15-22(28-25)31-12-13-32(18(2)16-31)24(34)19-6-5-7-20(14-19)35-3/h5-7,14-15,18H,4,8-13,16-17H2,1-3H3