5-(2-azanylpyrimidin-4-yl)-2-(phenylmethyl)-3H-isoindol-1-one

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(phenylmethyl)-3H-isoindol-1-one Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-benzyl-isoindolin-1-one CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-benzyl-3H-isoindol-1-one Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-benzyl-isoindolin-1-one Formula: C19H16N4O MolecularWeight: 316.35654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=NC(=NC=C3)N)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=NC(=NC=C3)N)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O/c20-19-21-9-8-17(22-19)14-6-7-16-15(10-14)12-23(18(16)24)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H2,20,21,22)