4-[6-chloranyl-2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(diisopropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C20H33ClN6O2S MolecularWeight: 457.03302

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(C(C)C)C(C)C)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(C(C)C)C(C)C)Cl

InChI

InChI=1S/C20H33ClN6O2S/c1-7-22-20(29)26-9-8-25(11-15(26)6)17-10-16(21)23-19(24-17)30-12-18(28)27(13(2)3)14(4)5/h10,13-15H,7-9,11-12H2,1-6H3,(H,22,29)