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

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN5O3/c1-16-12-19(13-17(2)20(16)24)32-23-21(29(30)31)22(25-15-26-23)28-10-8-27(9-11-28)14-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3