N6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O2/c1-13-11-10(17(18)19)12(16-8-15-11)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14,15,16)