1-[4-[6-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3-methyl-butan-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]-3-methyl-butan-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]-3-methyl-butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]-3-methyl-butan-1-one Formula: C20H30ClN5O2S MolecularWeight: 440.0025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H30ClN5O2S/c1-14(2)10-18(27)26-9-8-25(12-15(26)3)17-11-16(21)22-20(23-17)29-13-19(28)24-6-4-5-7-24/h11,14-15H,4-10,12-13H2,1-3H3