2-[(6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-yl)-methylsulfanyl-methylidene]propanedinitrile

Systemtic Name: 2-[(6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-yl)-methylsulfanyl-methylidene]propanedinitrile Openeye Name: 2-[(6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-yl)-methylsulfanyl-methylene]propanedinitrile CAS Name: 2-[[6,7-dimethoxy-2-(1-piperazinyl)-4-quinazolinyl]-(methylthio)methylidene]propanedinitrile IUPAC Name: 2-[(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)-methylsulfanylmethylidene]propanedinitrile Traditional Name: 2-[(6,7-dimethoxy-2-piperazino-quinazolin-4-yl)-(methylthio)methylene]malononitrile Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)C(=C(C#N)C#N)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)C(=C(C#N)C#N)SC)OC

InChI

InChI=1S/C19H20N6O2S/c1-26-15-8-13-14(9-16(15)27-2)23-19(25-6-4-22-5-7-25)24-17(13)18(28-3)12(10-20)11-21/h8-9,22H,4-7H2,1-3H3