1-[4-[6-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]pentan-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]pentan-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]pentan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]pentan-1-one Formula: C20H30ClN5O2S MolecularWeight: 440.0025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN5O2S/c1-3-4-7-18(27)26-11-10-25(13-15(26)2)17-12-16(21)22-20(23-17)29-14-19(28)24-8-5-6-9-24/h12,15H,3-11,13-14H2,1-2H3