6-(2-azanylpyrimidin-4-yl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 6-(2-azanylpyrimidin-4-yl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 6-(2-aminopyrimidin-4-yl)-2-benzyl-isoquinolin-1-one CAS Name: 6-(2-amino-4-pyrimidinyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 6-(2-aminopyrimidin-4-yl)-2-benzylisoquinolin-1-one Traditional Name: 6-(2-aminopyrimidin-4-yl)-2-benzyl-isocarbostyril Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)C4=NC(=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)C4=NC(=NC=C4)N

InChI

InChI=1S/C20H16N4O/c21-20-22-10-8-18(23-20)16-6-7-17-15(12-16)9-11-24(19(17)25)13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,21,22,23)