2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)O

InChI

InChI=1S/C23H22N2O5S/c1-2-14-10-17-15(11-21(28)30-20(17)12-19(14)27)13-31-23-24-18-7-4-3-6-16(18)22(29)25(23)8-5-9-26/h3-4,6-7,10-12,26-27H,2,5,8-9,13H2,1H3