1-[4-[6-chloranyl-2-(2-morpholin-4-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-morpholin-4-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-morpholino-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-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C21H32ClN5O3S MolecularWeight: 470.02848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H32ClN5O3S/c1-15-13-26(5-6-27(15)18(28)12-21(2,3)4)17-11-16(22)23-20(24-17)31-14-19(29)25-7-9-30-10-8-25/h11,15H,5-10,12-14H2,1-4H3