N-[[3-[[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]methanesulfonamide

Systemtic Name: N-[[3-[[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]methanesulfonamide Openeye Name: N-[[3-[[[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]methyl]phenyl]methyl]methanesulfonamide CAS Name: N-[[3-[[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]methanesulfonamide IUPAC Name: N-[[3-[[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]methanesulfonamide Traditional Name: N-[3-[[[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]methyl]benzyl]methanesulfonamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)NCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O3S/c1-27(25,26)21-12-14-4-2-3-13(9-14)11-20-18-22-16(10-17(24)23-18)15-5-7-19-8-6-15/h2-10,21H,11-12H2,1H3,(H2,20,22,23,24)