2-(2-azanylpyrimidin-4-yl)-6-(phenylmethoxymethyl)-1-[2,2,2-tris(fluoranyl)ethyl]-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one

Systemtic Name: 2-(2-azanylpyrimidin-4-yl)-6-(phenylmethoxymethyl)-1-[2,2,2-tris(fluoranyl)ethyl]-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one Openeye Name: 2-(2-aminopyrimidin-4-yl)-6-(benzyloxymethyl)-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one CAS Name: 2-(2-amino-4-pyrimidinyl)-6-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one IUPAC Name: 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one Traditional Name: 2-(2-aminopyrimidin-4-yl)-6-(benzoxymethyl)-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,4-b]pyrrol-4-one Formula: C20H18F3N5O2 MolecularWeight: 417.38443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C3=C(C=C(N3CC(F)(F)F)C4=NC(=NC=C4)N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)COCC2C3=C(C=C(N3CC(F)(F)F)C4=NC(=NC=C4)N)C(=O)N2

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)11-28-16(14-6-7-25-19(24)27-14)8-13-17(28)15(26-18(13)29)10-30-9-12-4-2-1-3-5-12/h1-8,15H,9-11H2,(H,26,29)(H2,24,25,27)