1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 1-butyl-6-methyl-3-(5-methyl-2-thienyl)-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 1-butyl-6-methyl-3-(5-methyl-2-thiophenyl)-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 1-butyl-6-methyl-3-(5-methyl-2-thienyl)-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(S3)C)[O-])C

Isomeric SMILES

CCCCN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(S3)C)[O-])C

InChI

InChI=1S/C15H17N5O3S/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3