4-[3-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinate

Systemtic Name: 4-[3-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinate Openeye Name: 4-[3-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinate CAS Name: 4-[3-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl]-5-(4-fluorophenyl)-4-imidazolyl]-2-pyrimidinesulfinate IUPAC Name: 4-[3-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinate Traditional Name: 4-[5-(4-fluorophenyl)-3-[2-(veratroylamino)ethyl]imidazol-4-yl]pyrimidine-2-sulfinate Formula: C24H21FN5O5S- MolecularWeight: 510.517443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=NC(=C2C3=NC(=NC=C3)S(=O)[O-])C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=NC(=C2C3=NC(=NC=C3)S(=O)[O-])C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H22FN5O5S/c1-34-19-8-5-16(13-20(19)35-2)23(31)26-11-12-30-14-28-21(15-3-6-17(25)7-4-15)22(30)18-9-10-27-24(29-18)36(32)33/h3-10,13-14H,11-12H2,1-2H3,(H,26,31)(H,32,33)/p-1