2-(2-chlorophenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(2-chlorophenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-(2-chlorophenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-(2-chlorophenyl)-4-methyl-6-[2-(4-morpholin-4-iumyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-(2-chlorophenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-(2-chlorophenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylthio)pyrimidine-5-carbonitrile Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H19ClN4OS/c1-13-15(12-20)18(25-11-8-23-6-9-24-10-7-23)22-17(21-13)14-4-2-3-5-16(14)19/h2-5H,6-11H2,1H3/p+1