1-[4-[6-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]propan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]propan-1-one Formula: C18H26ClN5O2S MolecularWeight: 411.94934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H26ClN5O2S/c1-3-16(25)24-9-8-23(11-13(24)2)15-10-14(19)20-18(21-15)27-12-17(26)22-6-4-5-7-22/h10,13H,3-9,11-12H2,1-2H3