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

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidine Formula: C22H21Cl2N5O3 MolecularWeight: 474.33984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O3/c1-14-10-18(11-15(2)19(14)24)32-22-20(29(30)31)21(25-13-26-22)28-8-6-27(7-9-28)17-5-3-4-16(23)12-17/h3-5,10-13H,6-9H2,1-2H3