6-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-chloroanilino)-4-pyrimidinyl]-4-(2-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one Formula: C24H18ClN5O2 MolecularWeight: 443.88502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)CC5=CC=CC=N5

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)CC5=CC=CC=N5

InChI

InChI=1S/C24H18ClN5O2/c25-17-4-3-6-18(13-17)28-24-27-11-9-20(29-24)16-7-8-22-21(12-16)30(23(31)15-32-22)14-19-5-1-2-10-26-19/h1-13H,14-15H2,(H,27,28,29)