3-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC#N

InChI

InChI=1S/C17H20ClN3O2S/c1-12(2)23-9-4-8-21-16(22)14-6-5-13(18)11-15(14)20-17(21)24-10-3-7-19/h5-6,11-12H,3-4,8-10H2,1-2H3