4-[3-[4-(2,5-dimethoxypyrimidin-4-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine

Systemtic Name: 4-[3-[4-(2,5-dimethoxypyrimidin-4-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine Openeye Name: 4-[3-[4-(2,5-dimethoxypyrimidin-4-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine CAS Name: 4-[3-[4-(2,5-dimethoxy-4-pyrimidinyl)phenyl]-2,1-benzoxazol-5-yl]-2-pyrimidinamine IUPAC Name: 4-[3-[4-(2,5-dimethoxypyrimidin-4-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine Traditional Name: [4-[3-[4-(2,5-dimethoxypyrimidin-4-yl)phenyl]anthranil-5-yl]pyrimidin-2-yl]amine Formula: C23H18N6O3 MolecularWeight: 426.42742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1C2=CC=C(C=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N)OC

Isomeric SMILES

COC1=CN=C(N=C1C2=CC=C(C=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N)OC

InChI

InChI=1S/C23H18N6O3/c1-30-19-12-26-23(31-2)28-20(19)13-3-5-14(6-4-13)21-16-11-15(7-8-18(16)29-32-21)17-9-10-25-22(24)27-17/h3-12H,1-2H3,(H2,24,25,27)