(6E)-5-azanylidene-6-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[3-bromo-4-(dimethylamino)phenyl]methylene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[3-bromo-4-(dimethylamino)benzylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H20BrN5O2S MolecularWeight: 498.3955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN3C(=N)C(=CC4=CC(=C(C=C4)N(C)C)Br)C(=O)N=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN3C(=N)/C(=C\C4=CC(=C(C=C4)N(C)C)Br)/C(=O)N=C3S2

InChI

InChI=1S/C22H20BrN5O2S/c1-13-5-4-6-15(9-13)30-12-19-26-28-20(24)16(21(29)25-22(28)31-19)10-14-7-8-18(27(2)3)17(23)11-14/h4-11,24H,12H2,1-3H3/b16-10+,24-20?