N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-allylsulfanyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-2-pyrimidinyl]amino]cyclohexyl]-2-(prop-2-enylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanylpyridine-3-carboxamide Traditional Name: 2-(allylthio)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]nicotinamide Formula: C21H28N6OS MolecularWeight: 412.55162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC=C1)NC2CCC(CC2)NC(=O)C3=C(N=CC=C3)SCC=C

Isomeric SMILES

CN(C)C1=NC(=NC=C1)NC2CCC(CC2)NC(=O)C3=C(N=CC=C3)SCC=C

InChI

InChI=1S/C21H28N6OS/c1-4-14-29-20-17(6-5-12-22-20)19(28)24-15-7-9-16(10-8-15)25-21-23-13-11-18(26-21)27(2)3/h4-6,11-13,15-16H,1,7-10,14H2,2-3H3,(H,24,28)(H,23,25,26)