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

Systemtic Name: 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-hexyl-quinazolin-4-one Openeye Name: 2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-hexyl-quinazolin-4-one CAS Name: 2-[[3-(2-furanyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-hexylquinazolin-4-one Traditional Name: 2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-hexyl-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CO4

InChI

InChI=1S/C21H22N4O3S/c1-2-3-4-7-12-25-20(26)15-9-5-6-10-16(15)22-21(25)29-14-18-23-19(24-28-18)17-11-8-13-27-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3