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

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: benzyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5O2/c18-13-6-8-14(9-7-13)21-17-20-11-15(23(24)25)16(22-17)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,20,21,22)