5-ethanoyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-olate; trimethylazanium

Systemtic Name: 5-ethanoyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-olate; trimethylazanium Openeye Name: 5-acetyl-3-benzyl-2,6-dioxo-pyrimidin-4-olate; trimethylammonium CAS Name: 5-acetyl-2,6-dioxo-3-(phenylmethyl)-4-pyrimidinolate; trimethylammonium IUPAC Name: 5-acetyl-3-benzyl-2,6-dioxopyrimidin-4-olate; trimethylazanium Traditional Name: 5-acetyl-3-benzyl-2,6-diketo-pyrimidin-4-olate; trimethylammonium Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)[O-].C[NH+](C)C

Isomeric SMILES

CC(=O)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)[O-].C[NH+](C)C

InChI

InChI=1S/C13H12N2O4.C3H9N/c1-8(16)10-11(17)14-13(19)15(12(10)18)7-9-5-3-2-4-6-9;1-4(2)3/h2-6,18H,7H2,1H3,(H,14,17,19);1-3H3