N4-(3-chlorophenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3-chlorophenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C18H17ClN6O2/c19-13-7-4-8-14(11-13)22-17-15(25(26)27)16(20)23-18(24-17)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H4,20,21,22,23,24)