4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C20H26ClN7O2 MolecularWeight: 431.91914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H26ClN7O2/c1-2-24-6-8-26(9-7-24)19-18(28(29)30)20(23-15-22-19)27-12-10-25(11-13-27)17-5-3-4-16(21)14-17/h3-5,14-15H,2,6-13H2,1H3