N-tert-butyl-4-[6-chloranyl-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-[3-(2-methyl-1-piperidyl)propylamino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-[3-(2-methyl-1-piperidinyl)propylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-keto-2-[3-(2-methylpiperidino)propylamino]ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C25H42ClN7O2S MolecularWeight: 540.16468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H42ClN7O2S/c1-18-9-6-7-11-31(18)12-8-10-27-22(34)17-36-23-28-20(26)15-21(29-23)32-13-14-33(19(2)16-32)24(35)30-25(3,4)5/h15,18-19H,6-14,16-17H2,1-5H3,(H,27,34)(H,30,35)