N4-(4-chlorophenyl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-chlorophenyl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C13H15ClN6O3 MolecularWeight: 338.7496

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

COCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C13H15ClN6O3/c1-23-7-6-16-13-18-11(15)10(20(21)22)12(19-13)17-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19)