N-(phenylmethyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

Systemtic Name: N-(phenylmethyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine Openeye Name: N-benzyl-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine CAS Name: N-(phenylmethyl)-4-[3-(4-pyrimidinyl)-2,1-benzoxazol-5-yl]-2-pyrimidinamine IUPAC Name: N-benzyl-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine Traditional Name: benzyl-[4-[3-(4-pyrimidyl)anthranil-5-yl]pyrimidin-2-yl]amine Formula: C22H16N6O MolecularWeight: 380.40204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=NC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=NC=NC=C5

InChI

InChI=1S/C22H16N6O/c1-2-4-15(5-3-1)13-25-22-24-11-9-18(27-22)16-6-7-19-17(12-16)21(29-28-19)20-8-10-23-14-26-20/h1-12,14H,13H2,(H,24,25,27)