N2-[3-(aminomethyl)-4-chloranyl-phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(aminomethyl)-4-chloranyl-phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(aminomethyl)-4-chloro-phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(aminomethyl)-4-chlorophenyl]-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(aminomethyl)-4-chlorophenyl]-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-[3-(aminomethyl)-4-chloro-anilino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C12H13ClN6O2 MolecularWeight: 308.72362

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)CN

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)CN

InChI

InChI=1S/C12H13ClN6O2/c1-15-11-10(19(20)21)6-16-12(18-11)17-8-2-3-9(13)7(4-8)5-14/h2-4,6H,5,14H2,1H3,(H2,15,16,17,18)