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

Systemtic Name: N-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine CAS Name: N-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinamine IUPAC Name: N-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Traditional Name: methyl-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-yl]amine Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H16N4O4S/c1-19-17-14-4-2-3-5-15(14)20-18(21-17)27-9-12-7-13(22(23)24)6-11-8-25-10-26-16(11)12/h2-7H,8-10H2,1H3,(H,19,20,21)