4-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]butyronitrile Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C17H18ClN3O2S/c18-12-5-6-14-15(10-12)20-17(24-9-2-1-7-19)21(16(14)22)11-13-4-3-8-23-13/h5-6,10,13H,1-4,8-9,11H2