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

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19ClN4O3S/c1-29-10-4-9-26-20(28)15-8-7-13(22)11-17(15)24-21(26)30-12-18-23-16-6-3-2-5-14(16)19(27)25-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,25,27)