methyl 6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carboxylate

Systemtic Name: methyl 6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carboxylate Openeye Name: methyl 6-(4-pyridylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carboxylate CAS Name: 6-(pyridin-4-ylmethylthio)-3-benzimidazolo[1,2-c]quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carboxylate Traditional Name: 6-(4-pyridylmethylthio)benzimidazolo[1,2-c]quinazoline-3-carboxylic acid methyl ester Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC5=CC=NC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC5=CC=NC=C5

InChI

InChI=1S/C22H16N4O2S/c1-28-21(27)15-6-7-16-18(12-15)25-22(29-13-14-8-10-23-11-9-14)26-19-5-3-2-4-17(19)24-20(16)26/h2-12H,13H2,1H3