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

Systemtic Name: 3-(3-methoxypropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O3S/c1-28-12-6-11-25-20(27)15-8-3-5-10-17(15)23-21(25)29-13-18-22-16-9-4-2-7-14(16)19(26)24-18/h2-5,7-10H,6,11-13H2,1H3,(H,22,24,26)