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

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(3-methylisoxazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(3-methyl-5-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(3-methylisoxazol-5-yl)methylthio]quinazolin-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C16H17N3O3S/c1-11-9-12(22-18-11)10-23-16-17-14-6-3-2-5-13(14)15(21)19(16)7-4-8-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3