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

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-13(19(22)25)29-21-23-16-12-18(28-3)17(27-2)11-15(16)20(26)24(21)10-9-14-7-5-4-6-8-14/h7,11-13H,4-6,8-10H2,1-3H3,(H2,22,25)