3-bromanyl-1-(phenylmethyl)-5-pyrimidin-4-yl-pyridin-2-one; methanesulfonic acid

Systemtic Name: 3-bromanyl-1-(phenylmethyl)-5-pyrimidin-4-yl-pyridin-2-one; methanesulfonic acid Openeye Name: 1-benzyl-3-bromo-5-pyrimidin-4-yl-pyridin-2-one; methanesulfonic acid CAS Name: 3-bromo-1-(phenylmethyl)-5-(4-pyrimidinyl)-2-pyridinone; methanesulfonic acid IUPAC Name: 1-benzyl-3-bromo-5-pyrimidin-4-ylpyridin-2-one; methanesulfonic acid Traditional Name: 1-benzyl-3-bromo-5-(4-pyrimidyl)-2-pyridone; mesylic acid Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Br)C3=NC=NC=C3

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Br)C3=NC=NC=C3

InChI

InChI=1S/C16H12BrN3O.CH4O3S/c17-14-8-13(15-6-7-18-11-19-15)10-20(16(14)21)9-12-4-2-1-3-5-12;1-5(2,3)4/h1-8,10-11H,9H2;1H3,(H,2,3,4)