2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C22H20N2O4S/c1-14-7-8-16-15(12-20(26)28-19(16)11-14)13-29-22-23-18-6-3-2-5-17(18)21(27)24(22)9-4-10-25/h2-3,5-8,11-12,25H,4,9-10,13H2,1H3