1-phenethyl-2-(pyridin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one

Systemtic Name: 1-phenethyl-2-(pyridin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one Openeye Name: 1-phenethyl-2-(2-pyridylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one CAS Name: 1-phenethyl-2-[(2-pyridinylthio)methyl]-4-pyrimido[1,2-a]benzimidazolone IUPAC Name: 1-phenethyl-2-(pyridin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one Traditional Name: 1-phenethyl-2-[(2-pyridylthio)methyl]pyrimido[1,2-a]benzimidazol-4-one Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N3C2=NC4=CC=CC=C43)CSC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N3C2=NC4=CC=CC=C43)CSC5=CC=CC=N5

InChI

InChI=1S/C24H20N4OS/c29-23-16-19(17-30-22-12-6-7-14-25-22)27(15-13-18-8-2-1-3-9-18)24-26-20-10-4-5-11-21(20)28(23)24/h1-12,14,16H,13,15,17H2