6-[(S)-1,3-benzodioxol-5-yl-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-1,3-benzodioxol-5-yl-(2-pyrimidinylamino)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-1,3-benzodioxol-5-yl-(2-pyrimidylamino)methyl]sesamol Formula: C19H15N3O5 MolecularWeight: 365.3395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3O)OCO4)NC5=NC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C3=CC4=C(C=C3O)OCO4)NC5=NC=CC=N5

InChI

InChI=1S/C19H15N3O5/c23-13-8-17-16(26-10-27-17)7-12(13)18(22-19-20-4-1-5-21-19)11-2-3-14-15(6-11)25-9-24-14/h1-8,18,23H,9-10H2,(H,20,21,22)/t18-/m0/s1