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

Systemtic Name: 4-[6-chloranyl-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C21H26ClFN6O2S MolecularWeight: 480.986543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H26ClFN6O2S/c1-13(2)24-21(31)29-9-8-28(11-14(29)3)18-10-17(22)26-20(27-18)32-12-19(30)25-16-6-4-15(23)5-7-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,24,31)(H,25,30)