N-butyl-2-chloranyl-6-nitro-quinazolin-4-amine

Systemtic Name: N-butyl-2-chloranyl-6-nitro-quinazolin-4-amine Openeye Name: N-butyl-2-chloro-6-nitro-quinazolin-4-amine CAS Name: N-butyl-2-chloro-6-nitro-4-quinazolinamine IUPAC Name: N-butyl-2-chloro-6-nitroquinazolin-4-amine Traditional Name: butyl-(2-chloro-6-nitro-quinazolin-4-yl)amine Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O2/c1-2-3-6-14-11-9-7-8(17(18)19)4-5-10(9)15-12(13)16-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)