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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

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