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

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H25N5O3/c1-17-12-18(2)14-20(13-17)31-23-21(28(29)30)22(24-16-25-23)27-10-8-26(9-11-27)15-19-6-4-3-5-7-19/h3-7,12-14,16H,8-11,15H2,1-2H3