N-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-[4-(3,4-dimethoxyphenyl)piperazino]-5-nitro-pyrimidin-2-yl]amine Formula: C22H23ClN6O4 MolecularWeight: 470.90882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H23ClN6O4/c1-32-19-8-7-17(13-20(19)33-2)27-9-11-28(12-10-27)21-18(29(30)31)14-24-22(26-21)25-16-5-3-15(23)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)