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

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-phenethyl-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-phenethyl-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-phenethylpyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-phenethylpyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5O2/c19-14-6-8-15(9-7-14)22-18-21-12-16(24(25)26)17(23-18)20-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,21,22,23)