N4-(2-azanylethyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(2-azanylethyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(2-aminoethyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(2-aminoethyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(2-aminoethyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2-aminoethyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H13ClN6O2 MolecularWeight: 308.72362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN6O2/c13-8-1-3-9(4-2-8)17-12-16-7-10(19(20)21)11(18-12)15-6-5-14/h1-4,7H,5-6,14H2,(H2,15,16,17,18)