2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl-diethyl-ammonium Formula: C18H24N5S+ MolecularWeight: 342.48166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CC[NH+](CC)CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H23N5S/c1-4-23(5-2)12-11-20-17-15(13-19)16(21-18(22-17)24-3)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,20,21,22)/p+1