2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]-1H-benzimidazole IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]-1H-benzimidazole Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C20H18N4O2S/c1-25-16-12-17(26-2)24-19(23-16)18(13-8-4-3-5-9-13)27-20-21-14-10-6-7-11-15(14)22-20/h3-12,18H,1-2H3,(H,21,22)