N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(4-methylbenzyl)amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

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