(3R,4S)-4-[(4-fluorophenyl)amino]-2,2-dimethyl-3-pyrimidin-2-yloxy-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-4-[(4-fluorophenyl)amino]-2,2-dimethyl-3-pyrimidin-2-yloxy-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(4-fluoroanilino)-2,2-dimethyl-3-pyrimidin-2-yloxy-chromane-6-carbonitrile CAS Name: (3R,4S)-4-(4-fluoroanilino)-2,2-dimethyl-3-(2-pyrimidinyloxy)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(4-fluoroanilino)-2,2-dimethyl-3-pyrimidin-2-yloxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-(4-fluoroanilino)-2,2-dimethyl-3-(2-pyrimidyloxy)chroman-6-carbonitrile Formula: C22H19FN4O2 MolecularWeight: 390.410263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=C(C=C3)F)OC4=NC=CC=N4)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NC3=CC=C(C=C3)F)OC4=NC=CC=N4)C

InChI

InChI=1S/C22H19FN4O2/c1-22(2)20(28-21-25-10-3-11-26-21)19(27-16-7-5-15(23)6-8-16)17-12-14(13-24)4-9-18(17)29-22/h3-12,19-20,27H,1-2H3/t19-,20+/m0/s1