N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H23ClN6O4 MolecularWeight: 470.90882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)Cl)OC

InChI

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