ethanoic acid; 3-(hydroxymethyl)pyrimido[2,1-a]isoquinolin-4-one

Systemtic Name: ethanoic acid; 3-(hydroxymethyl)pyrimido[2,1-a]isoquinolin-4-one Openeye Name: acetic acid; 3-(hydroxymethyl)pyrimido[2,1-a]isoquinolin-4-one CAS Name: acetic acid; 3-(hydroxymethyl)-4-pyrimido[2,1-a]isoquinolinone IUPAC Name: acetic acid; 3-(hydroxymethyl)pyrimido[2,1-a]isoquinolin-4-one Traditional Name: acetic acid; 3-methylolpyrimid[2,1-a]isoquinolin-4-one Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C=CN3C2=NC=C(C3=O)CO

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=CN3C2=NC=C(C3=O)CO

InChI

InChI=1S/C13H10N2O2.C2H4O2/c16-8-10-7-14-12-11-4-2-1-3-9(11)5-6-15(12)13(10)17;1-2(3)4/h1-7,16H,8H2;1H3,(H,3,4)