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

Systemtic Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-isopropoxypropyl)quinazolin-4-one CAS Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-isopropoxypropyl)quinazolin-4-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C21H28N4O3S/c1-14(2)27-12-8-11-25-18(26)15-9-6-7-10-16(15)22-20(25)29-13-17-23-19(24-28-17)21(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3