5-(2-nitro-1-phenyl-ethyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-(2-nitro-1-phenyl-ethyl)pyrimidine-2,4,6-triamine Openeye Name: 5-(2-nitro-1-phenyl-ethyl)pyrimidine-2,4,6-triamine CAS Name: 5-(2-nitro-1-phenylethyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-(2-nitro-1-phenylethyl)pyrimidine-2,4,6-triamine Traditional Name: [2,6-diamino-5-(2-nitro-1-phenyl-ethyl)pyrimidin-4-yl]amine Formula: C12H14N6O2 MolecularWeight: 274.27856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C12H14N6O2/c13-10-9(11(14)17-12(15)16-10)8(6-18(19)20)7-4-2-1-3-5-7/h1-5,8H,6H2,(H6,13,14,15,16,17)