1,3-dimethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]propanoyl]benzimidazol-2-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-14(29-20-12-17(23-13-24-20)15-7-5-4-6-8-15)21(27)16-9-10-18-19(11-16)26(3)22(28)25(18)2/h4-14H,1-3H3