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

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]-N4-propyl-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]-N4-propyl-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]-N4-propylpyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-[(4-nitrophenyl)methyl]-4-N-propylpyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-nitrobenzyl)-propyl-amine Formula: C20H19ClN6O4 MolecularWeight: 442.85566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN6O4/c1-2-11-25(13-14-3-9-17(10-4-14)26(28)29)19-18(27(30)31)12-22-20(24-19)23-16-7-5-15(21)6-8-16/h3-10,12H,2,11,13H2,1H3,(H,22,23,24)