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

Systemtic Name: 2-chloranyl-N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-chloro-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: 2-chloro-N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-chloro-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-2-chloro-5-nitro-pyrimidin-4-yl)-(4-methylbenzyl)amine Formula: C12H12ClN5O2 MolecularWeight: 293.70898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O2/c1-7-2-4-8(5-3-7)6-15-11-9(18(19)20)10(14)16-12(13)17-11/h2-5H,6H2,1H3,(H3,14,15,16,17)