4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C24H26ClN5O3 MolecularWeight: 467.94794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H26ClN5O3/c1-15-6-5-7-20(18(15)4)28-8-10-29(11-9-28)23-22(30(31)32)24(27-14-26-23)33-19-12-16(2)21(25)17(3)13-19/h5-7,12-14H,8-11H2,1-4H3