3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(tetrahydrofuran-2-ylmethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)-4-(2-oxolanylmethylamino)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2-fluorophenyl)-4-(tetrahydrofurfurylamino)-3-pyrroline-2,5-quinone Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NCC4CCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NCC4CCCO4)C

InChI

InChI=1S/C21H21FN4O3S/c1-12-10-13(2)25-21(24-12)30-18-17(23-11-14-6-5-9-29-14)19(27)26(20(18)28)16-8-4-3-7-15(16)22/h3-4,7-8,10,14,23H,5-6,9,11H2,1-2H3