N-[4-[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethyl-amino]butyl]methanesulfonamide

Systemtic Name: N-[4-[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethyl-amino]butyl]methanesulfonamide Openeye Name: N-[4-[[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]-phenethyl-amino]butyl]methanesulfonamide CAS Name: N-[4-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethylamino]butyl]methanesulfonamide IUPAC Name: N-[4-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethylamino]butyl]methanesulfonamide Traditional Name: N-[4-[[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]-phenethyl-amino]butyl]methanesulfonamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCCN(CCC1=CC=CC=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)NCCCCN(CCC1=CC=CC=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O3S/c1-31(29,30)24-12-5-6-15-27(16-11-18-7-3-2-4-8-18)22-25-20(17-21(28)26-22)19-9-13-23-14-10-19/h2-4,7-10,13-14,17,24H,5-6,11-12,15-16H2,1H3,(H,25,26,28)