N2-(4-chlorophenyl)-5-nitro-N4-[2-(4-nitrophenyl)ethyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(4-nitrophenyl)ethyl]pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(4-nitrophenyl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(4-nitrophenyl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-[2-(4-nitrophenyl)ethyl]pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[2-(4-nitrophenyl)ethyl]amine Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O4/c19-13-3-5-14(6-4-13)22-18-21-11-16(25(28)29)17(23-18)20-10-9-12-1-7-15(8-2-12)24(26)27/h1-8,11H,9-10H2,(H2,20,21,22,23)