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

Systemtic Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-[2-(4-morpholin-4-iumyl)ethylthio]-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-14-16(13-19)18(24-12-9-22-7-10-23-11-8-22)21-17(20-14)15-5-3-2-4-6-15/h2-6H,7-12H2,1H3/p+1