N-[3-[[[2-(phenethylamino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfinamide

Systemtic Name: N-[3-[[[2-(phenethylamino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfinamide Openeye Name: N-[3-[[[2-(phenethylamino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfinamide CAS Name: N-[3-[[[2-(phenethylamino)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfinamide IUPAC Name: N-[3-[[[2-(phenethylamino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfinamide Traditional Name: N-[3-[[[2-(phenethylamino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfinamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)NC1=CC=CC(=C1)CNC2=NC(=NC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)NC1=CC=CC(=C1)CNC2=NC(=NC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-27(26)25-18-9-5-8-17(14-18)15-23-19-11-13-22-20(24-19)21-12-10-16-6-3-2-4-7-16/h2-9,11,13-14,25H,10,12,15H2,1H3,(H2,21,22,23,24)