6-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-ethyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-2-28(18-8-4-3-5-9-18)22-20(29(30)31)21(24-16-25-22)27-13-11-26(12-14-27)19-10-6-7-17(23)15-19/h3-10,15-16H,2,11-14H2,1H3