7-chloranyl-3-(3-ethoxypropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-ethoxypropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-ethoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-ethoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-ethoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(3-ethoxypropyl)-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21ClN4O3S/c1-2-30-11-5-10-27-21(29)16-9-8-14(23)12-18(16)25-22(27)31-13-19-24-17-7-4-3-6-15(17)20(28)26-19/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,24,26,28)