N-(4-chlorophenyl)-4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-nitro-pyrimidin-2-yl]amine Formula: C20H17ClN6O3 MolecularWeight: 424.84038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)CCC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)CCC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN6O3/c1-30-14-6-7-15-17(10-14)25-19(24-15)9-8-16-18(27(28)29)11-22-20(26-16)23-13-4-2-12(21)3-5-13/h2-7,10-11H,8-9H2,1H3,(H,24,25)(H,22,23,26)