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

Systemtic Name: 4-[3-(3-pyrimidin-5-ylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine Openeye Name: 4-[3-(3-pyrimidin-5-ylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine CAS Name: 4-[3-[3-(5-pyrimidinyl)phenyl]-2,1-benzoxazol-5-yl]-2-pyrimidinamine IUPAC Name: 4-[3-(3-pyrimidin-5-ylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine Traditional Name: [4-[3-[3-(5-pyrimidyl)phenyl]anthranil-5-yl]pyrimidin-2-yl]amine Formula: C21H14N6O MolecularWeight: 366.37546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)N)C5=CN=CN=C5

Isomeric SMILES

C1=CC(=CC(=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)N)C5=CN=CN=C5

InChI

InChI=1S/C21H14N6O/c22-21-25-7-6-18(26-21)14-4-5-19-17(9-14)20(28-27-19)15-3-1-2-13(8-15)16-10-23-12-24-11-16/h1-12H,(H2,22,25,26)