N2-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C12H14N6O2 MolecularWeight: 274.27856

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H14N6O2/c1-14-12-16-10(13)9(18(19)20)11(17-12)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H4,13,14,15,16,17)