N5-methyl-6-nitro-quinazoline-2,4,5-triamine

Systemtic Name: N5-methyl-6-nitro-quinazoline-2,4,5-triamine Openeye Name: N5-methyl-6-nitro-quinazoline-2,4,5-triamine CAS Name: N5-methyl-6-nitroquinazoline-2,4,5-triamine IUPAC Name: 5-N-methyl-6-nitroquinazoline-2,4,5-triamine Traditional Name: (2,4-diamino-6-nitro-quinazolin-5-yl)-methyl-amine Formula: C9H10N6O2 MolecularWeight: 234.2147

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC2=C1C(=NC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC2=C1C(=NC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H10N6O2/c1-12-7-5(15(16)17)3-2-4-6(7)8(10)14-9(11)13-4/h2-3,12H,1H3,(H4,10,11,13,14)