3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyrimido[1,2-a]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyrimido[1,2-a]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyrimido[1,2-a]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-1-pyrimido[1,2-a]benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyrimido[1,2-a]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyrimido[1,2-a]benzimidazol-1-yl]propionitrile Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)N3C4=CC=CC=C4N=C3N2CCC#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)N3C4=CC=CC=C4N=C3N2CCC#N)C

InChI

InChI=1S/C20H18N6OS/c1-13-10-14(2)23-19(22-13)28-12-15-11-18(27)26-17-7-4-3-6-16(17)24-20(26)25(15)9-5-8-21/h3-4,6-7,10-11H,5,9,12H2,1-2H3