1-ethyl-4-oxidanidyl-3-phenyl-6-propyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 1-ethyl-4-oxidanidyl-3-phenyl-6-propyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 1-ethyl-4-oxido-3-phenyl-6-propyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 1-ethyl-4-oxido-3-phenyl-6-propylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 1-ethyl-4-oxido-3-phenyl-6-propylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 1-ethyl-4-oxido-3-phenyl-6-propyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=[N+](C(=NN(C2=NC1=O)CC)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCN1C(=O)C2=[N+](C(=NN(C2=NC1=O)CC)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H17N5O3/c1-3-10-19-15(22)12-14(17-16(19)23)20(4-2)18-13(21(12)24)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3