N-[1-[3,4-bis(oxidanyl)phenyl]ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[3,4-bis(oxidanyl)phenyl]ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCC3C(=O)NC(C)C4=CC(=C(C=C4)O)O

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCC3C(=O)NC(C)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C21H24N6O3/c1-13-10-19(25-21(23-13)26-9-7-22-12-26)27-8-3-4-16(27)20(30)24-14(2)15-5-6-17(28)18(29)11-15/h5-7,9-12,14,16,28-29H,3-4,8H2,1-2H3,(H,24,30)