3-(3-oxidanylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-oxidanylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(5-phenyl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(5-phenylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H19N3O3S/c25-12-6-11-24-20(26)17-9-4-5-10-18(17)22-21(24)28-14-16-13-19(27-23-16)15-7-2-1-3-8-15/h1-5,7-10,13,25H,6,11-12,14H2