1-ethyl-6-methyl-3-thiophen-2-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione

Systemtic Name: 1-ethyl-6-methyl-3-thiophen-2-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione Openeye Name: 1-ethyl-6-methyl-3-(2-thienyl)-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione CAS Name: 1-ethyl-6-methyl-3-thiophen-2-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione IUPAC Name: 1-ethyl-6-methyl-3-thiophen-2-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione Traditional Name: 1-ethyl-6-methyl-3-(2-thienyl)-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-quinone Formula: C12H12N5O2S+ MolecularWeight: 290.32098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC(=NC2=C1NC(=O)N(C2=O)C)C3=CC=CS3

Isomeric SMILES

CC[N+]1=NC(=NC2=C1NC(=O)N(C2=O)C)C3=CC=CS3

InChI

InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3/p+1