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

Systemtic Name: 3-(3-methoxypropyl)-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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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)N3CCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC

InChI

InChI=1S/C23H22N2O4S/c1-15-8-9-17-16(13-21(26)29-20(17)12-15)14-30-23-24-19-7-4-3-6-18(19)22(27)25(23)10-5-11-28-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3