N-tert-butyl-4-[6-chloranyl-2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-[[4-(diethylamino)-1-methyl-butyl]amino]-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C25H44ClN7O2S MolecularWeight: 542.18056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H44ClN7O2S/c1-8-31(9-2)12-10-11-18(3)27-22(34)17-36-23-28-20(26)15-21(29-23)32-13-14-33(19(4)16-32)24(35)30-25(5,6)7/h15,18-19H,8-14,16-17H2,1-7H3,(H,27,34)(H,30,35)