4-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]butyronitrile Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

InChI

InChI=1S/C16H19N3O2S/c1-21-11-6-10-19-15(20)13-7-2-3-8-14(13)18-16(19)22-12-5-4-9-17/h2-3,7-8H,4-6,10-12H2,1H3