2-[[3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-(diethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H31N5OS/c1-6-26(7-2)19-13-16(3)23-21(24-19)28-15-17-9-8-10-18(14-17)20(27)22-11-12-25(4)5/h8-10,13-14H,6-7,11-12,15H2,1-5H3,(H,22,27)/p+1