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

Systemtic Name: 2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-2-14-10-20-17(12-18(14)24)15(11-21(28)30-20)13-31-23-25-19-7-4-3-6-16(19)22(29)26(23)8-5-9-27/h3-4,6-7,10-12,27H,2,5,8-9,13H2,1H3