5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione

Systemtic Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione Openeye Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione CAS Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione IUPAC Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione Traditional Name: 5,6-dimethyl-1H-pyrimidin-2-one; menadione Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=C(NC(=O)N=C1)C

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=C(NC(=O)N=C1)C

InChI

InChI=1S/C11H8O2.C6H8N2O/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-4-3-7-6(9)8-5(4)2/h2-6H,1H3;3H,1-2H3,(H,7,8,9)