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

Systemtic Name: 2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

InChI

InChI=1S/C22H19ClN2O4S/c1-13-9-19-16(11-17(13)23)14(10-20(27)29-19)12-30-22-24-18-6-3-2-5-15(18)21(28)25(22)7-4-8-26/h2-3,5-6,9-11,26H,4,7-8,12H2,1H3