2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-hexyl-quinazolin-4-one

Systemtic Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-hexyl-quinazolin-4-one Openeye Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-hexyl-quinazolin-4-one CAS Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-hexylquinazolin-4-one Traditional Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-hexyl-quinazolin-4-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C21H28N4O2S/c1-5-6-7-10-13-25-18(26)15-11-8-9-12-16(15)22-20(25)28-14-17-23-19(24-27-17)21(2,3)4/h8-9,11-12H,5-7,10,13-14H2,1-4H3