4-[3-[2-(2-ethoxyethanoylamino)ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinic acid

Systemtic Name: 4-[3-[2-(2-ethoxyethanoylamino)ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinic acid Openeye Name: 4-[3-[2-[(2-ethoxyacetyl)amino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinic acid CAS Name: 4-[3-[2-[(2-ethoxy-1-oxoethyl)amino]ethyl]-5-(4-fluorophenyl)-4-imidazolyl]-2-pyrimidinesulfinic acid IUPAC Name: 4-[3-[2-[(2-ethoxyacetyl)amino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinic acid Traditional Name: 4-[3-[2-[(2-ethoxyacetyl)amino]ethyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidine-2-sulfinic acid Formula: C19H20FN5O4S MolecularWeight: 433.456603

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NCCN1C=NC(=C1C2=NC(=NC=C2)S(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCC(=O)NCCN1C=NC(=C1C2=NC(=NC=C2)S(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN5O4S/c1-2-29-11-16(26)21-9-10-25-12-23-17(13-3-5-14(20)6-4-13)18(25)15-7-8-22-19(24-15)30(27)28/h3-8,12H,2,9-11H2,1H3,(H,21,26)(H,27,28)