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

Systemtic Name: 3-(furan-2-ylmethyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C22H16N4O3S/c27-20-15-7-1-3-9-17(15)23-19(25-20)13-30-22-24-18-10-4-2-8-16(18)21(28)26(22)12-14-6-5-11-29-14/h1-11H,12-13H2,(H,23,25,27)