2-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C(=CC=CC4=N3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C(=CC=CC4=N3)C

InChI

InChI=1S/C20H21N5O3S2/c1-3-9-24-17-8-7-15(30(21,27)28)11-16(17)23-20(24)29-12-14-10-19(26)25-13(2)5-4-6-18(25)22-14/h4-8,10-11H,3,9,12H2,1-2H3,(H2,21,27,28)