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

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-oxo-2-(pentylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(amylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-tert-butyl-2-methyl-piperazine-1-carboxamide Formula: C21H35ClN6O2S MolecularWeight: 471.0596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN6O2S/c1-6-7-8-9-23-18(29)14-31-19-24-16(22)12-17(25-19)27-10-11-28(15(2)13-27)20(30)26-21(3,4)5/h12,15H,6-11,13-14H2,1-5H3,(H,23,29)(H,26,30)