2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]propionitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

Isomeric SMILES

CC(C#N)SC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-14(13-22)28-21-23-17-12-19(27-3)18(26-2)11-16(17)20(25)24(21)10-9-15-7-5-4-6-8-15/h7,11-12,14H,4-6,8-10H2,1-3H3