[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-pyrimido[1,2-a]benzimidazol-3-yl-methanone

Systemtic Name: [5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-pyrimido[1,2-a]benzimidazol-3-yl-methanone Openeye Name: [5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-pyrimido[1,2-a]benzimidazol-3-yl-methanone CAS Name: [5-chloro-2-hydroxy-3-[(2-pyrimidinylthio)methyl]phenyl]-(3-pyrimido[1,2-a]benzimidazolyl)methanone IUPAC Name: [5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-pyrimido[1,2-a]benzimidazol-3-ylmethanone Traditional Name: [5-chloro-2-hydroxy-3-[(2-pyrimidylthio)methyl]phenyl]-pyrimido[1,2-a]benzimidazol-3-yl-methanone Formula: C22H14ClN5O2S MolecularWeight: 447.89686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C=C(C=N3)C(=O)C4=CC(=CC(=C4O)CSC5=NC=CC=N5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C=C(C=N3)C(=O)C4=CC(=CC(=C4O)CSC5=NC=CC=N5)Cl

InChI

InChI=1S/C22H14ClN5O2S/c23-15-8-13(12-31-22-24-6-3-7-25-22)19(29)16(9-15)20(30)14-10-26-21-27-17-4-1-2-5-18(17)28(21)11-14/h1-11,29H,12H2