N-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine CAS Name: N-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinamine IUPAC Name: N-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Traditional Name: ethyl-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-yl]amine Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H18N4O4S/c1-2-20-18-15-5-3-4-6-16(15)21-19(22-18)28-10-13-8-14(23(24)25)7-12-9-26-11-27-17(12)13/h3-8H,2,9-11H2,1H3,(H,20,21,22)