N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H22ClN7O3 MolecularWeight: 443.88678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4)Cl)OC

InChI

InChI=1S/C20H22ClN7O3/c1-30-16-10-17(31-2)15(9-14(16)21)25-20(29)27-7-5-26(6-8-27)18-11-19(24-12-23-18)28-4-3-22-13-28/h3-4,9-13H,5-8H2,1-2H3,(H,25,29)