4-[[4-[4-[3-(4-methylpiperazin-1-yl)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-[3-(4-methylpiperazin-1-yl)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-[3-(4-methylpiperazin-1-yl)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-[3-(4-methyl-1-piperazinyl)propylthio]phenyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-[3-(4-methylpiperazin-1-yl)propylsulfanyl]phenyl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-[3-(4-methylpiperazino)propylthio]phenyl]pyrimidin-2-yl]amino]benzamide Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCSC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1CCN(CC1)CCCSC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H30N6OS/c1-30-14-16-31(17-15-30)13-2-18-33-22-9-5-19(6-10-22)23-11-12-27-25(29-23)28-21-7-3-20(4-8-21)24(26)32/h3-12H,2,13-18H2,1H3,(H2,26,32)(H,27,28,29)