6-ethyl-5-[3-nitro-4-(1-phenylethylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-nitro-4-(1-phenylethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-(1-phenylethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-(1-phenylethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-nitro-4-(1-phenylethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-(1-phenylethyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-3-15-18(19(21)25-20(22)24-15)14-9-10-16(17(11-14)26(27)28)23-12(2)13-7-5-4-6-8-13/h4-12,23H,3H2,1-2H3,(H4,21,22,24,25)