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

Systemtic Name: 4-[6-chloranyl-2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-[[4-(diethylamino)-1-methyl-butyl]amino]-2-keto-ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C27H46ClN7O2S MolecularWeight: 568.21784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC3CCCCC3

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC3CCCCC3

InChI

InChI=1S/C27H46ClN7O2S/c1-5-33(6-2)14-10-11-20(3)29-25(36)19-38-26-31-23(28)17-24(32-26)34-15-16-35(21(4)18-34)27(37)30-22-12-8-7-9-13-22/h17,20-22H,5-16,18-19H2,1-4H3,(H,29,36)(H,30,37)