N4-(3-chlorophenyl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3-chlorophenyl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C17H14Cl2N6O2 MolecularWeight: 405.23806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14Cl2N6O2/c18-11-6-4-10(5-7-11)9-21-17-23-15(20)14(25(26)27)16(24-17)22-13-3-1-2-12(19)8-13/h1-8H,9H2,(H4,20,21,22,23,24)