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

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c1-16-12-17(2)14-20(13-16)32-24-22(29(30)31)23(25-15-26-24)28-10-8-27(9-11-28)21-7-5-6-18(3)19(21)4/h5-7,12-15H,8-11H2,1-4H3