2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C18H16N5S+ MolecularWeight: 334.41814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C[N+]4=CC=CN=C4N3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C[N+]4=CC=CN=C4N3

InChI

InChI=1S/C18H15N5S/c1-13-10-16(14-6-3-2-4-7-14)22-18(20-13)24-12-15-11-23-9-5-8-19-17(23)21-15/h2-11H,12H2,1H3/p+1