2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C#N

InChI

InChI=1S/C16H18BrN3O2S/c1-3-22-8-4-7-20-15(21)13-9-12(17)5-6-14(13)19-16(20)23-11(2)10-18/h5-6,9,11H,3-4,7-8H2,1-2H3