4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C21H21ClN6O3 MolecularWeight: 440.88284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H21ClN6O3/c1-14-11-16(12-15(2)18(14)22)31-21-19(28(29)30)20(24-13-25-21)27-9-7-26(8-10-27)17-5-3-4-6-23-17/h3-6,11-13H,7-10H2,1-2H3