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

Systemtic Name: 7-chloranyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 7-chloro-3-(3-isopropoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 7-chloro-3-(3-isopropoxypropyl)-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H23ClN4O3S/c1-14(2)31-11-5-10-28-22(30)17-9-8-15(24)12-19(17)26-23(28)32-13-20-25-18-7-4-3-6-16(18)21(29)27-20/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,25,27,29)