2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-[9-methyl-2-(4-morpholinyl)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]propanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-keto-9-methyl-2-morpholino-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propionitrile Formula: C23H20N5O2S+ MolecularWeight: 430.5022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4S3)C#N)C(=O)[N+]2=CC=C1)N5CCOCC5

Isomeric SMILES

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4S3)C#N)C(=O)[N+]2=CC=C1)N5CCOCC5

InChI

InChI=1S/C23H19N5O2S/c1-15-5-4-8-28-20(15)26-21(27-9-11-30-12-10-27)17(23(28)29)13-16(14-24)22-25-18-6-2-3-7-19(18)31-22/h2-8,13H,9-12H2,1H3/p+1