5-[N-(2-azaniumylphenyl)-C-ethyl-carbonimidoyl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 5-[N-(2-azaniumylphenyl)-C-ethyl-carbonimidoyl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 5-[N-(2-azaniumylphenyl)-C-ethyl-carbonimidoyl]-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-[1-(2-ammoniophenyl)iminopropyl]-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate IUPAC Name: 5-[N-(2-azaniumylphenyl)-C-ethylcarbonimidoyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate Traditional Name: 5-[N-(2-ammoniophenyl)-C-ethyl-carbonimidoyl]-2,6-diketo-1,3-dimethyl-pyrimidin-4-olate Formula: C15H18N4O3 MolecularWeight: 302.32842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC1=CC=CC=C1[NH3+])C2=C(N(C(=O)N(C2=O)C)C)[O-]

Isomeric SMILES

CCC(=NC1=CC=CC=C1[NH3+])C2=C(N(C(=O)N(C2=O)C)C)[O-]

InChI

InChI=1S/C15H18N4O3/c1-4-10(17-11-8-6-5-7-9(11)16)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,20H,4,16H2,1-3H3