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

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(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)NCCC4=CC(=C(C=C4)O)O

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCC3C(=O)NCCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C21H24N6O3/c1-14-11-19(25-21(24-14)26-10-8-22-13-26)27-9-2-3-16(27)20(30)23-7-6-15-4-5-17(28)18(29)12-15/h4-5,8,10-13,16,28-29H,2-3,6-7,9H2,1H3,(H,23,30)