4-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-N-butyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-butyl-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-keto-2-(sec-butylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C20H33ClN6O2S MolecularWeight: 457.03302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN6O2S/c1-5-7-8-22-20(29)27-10-9-26(12-15(27)4)17-11-16(21)24-19(25-17)30-13-18(28)23-14(3)6-2/h11,14-15H,5-10,12-13H2,1-4H3,(H,22,29)(H,23,28)