7-chloranyl-3-(3-methoxypropyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCCOC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCCOC

InChI

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