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

Systemtic Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-methylsulfanyl-methylidene]propanedinitrile Openeye Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-methylsulfanyl-methylene]propanedinitrile CAS Name: 2-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-(methylthio)methylidene]propanedinitrile IUPAC Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-methylsulfanylmethylidene]propanedinitrile Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(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)N3CCN(CC3)C(=C(C#N)C#N)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C(C#N)C#N)SC)OC

InChI

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