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

Systemtic Name: 6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-5-nitro-pyrimidin-4-yl)-benzyl-amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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