4-[[4-[4-[3-(dimethylamino)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-[3-(dimethylamino)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-[3-(dimethylamino)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-[3-(dimethylamino)propylthio]phenyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-[3-(dimethylamino)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-[3-(dimethylamino)propylthio]phenyl]pyrimidin-2-yl]amino]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CN(C)CCCSC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H25N5OS/c1-27(2)14-3-15-29-19-10-6-16(7-11-19)20-12-13-24-22(26-20)25-18-8-4-17(5-9-18)21(23)28/h4-13H,3,14-15H2,1-2H3,(H2,23,28)(H,24,25,26)