N-[(3-chlorophenyl)methyl]-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine Openeye Name: N-[(3-chlorophenyl)methyl]-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine CAS Name: N-[(3-chlorophenyl)methyl]-4-[3-(4-pyrimidinyl)-2,1-benzoxazol-5-yl]-2-pyrimidinamine IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine Traditional Name: (3-chlorobenzyl)-[4-[3-(4-pyrimidyl)anthranil-5-yl]pyrimidin-2-yl]amine Formula: C22H15ClN6O MolecularWeight: 414.8471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN6O/c23-16-3-1-2-14(10-16)12-26-22-25-9-7-18(28-22)15-4-5-19-17(11-15)21(30-29-19)20-6-8-24-13-27-20/h1-11,13H,12H2,(H,25,26,28)