2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3CCCO)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3CCCO)O

InChI

InChI=1S/C22H20N2O5S/c1-13-18(26)8-7-15-14(11-19(27)29-20(13)15)12-30-22-23-17-6-3-2-5-16(17)21(28)24(22)9-4-10-25/h2-3,5-8,11,25-26H,4,9-10,12H2,1H3