1-ethyl-3-(3-phenoxyphenyl)-6-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

Systemtic Name: 1-ethyl-3-(3-phenoxyphenyl)-6-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione Openeye Name: 1-ethyl-3-(3-phenoxyphenyl)-6-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione CAS Name: 1-ethyl-3-(3-phenoxyphenyl)-6-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione IUPAC Name: 1-ethyl-3-(3-phenoxyphenyl)-6-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione Traditional Name: 1-ethyl-3-(3-phenoxyphenyl)-6-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NC(=NN(C2=NC1=O)CC)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=NC(=NN(C2=NC1=O)CC)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-3-13-26-21(28)18-20(24-22(26)29)27(4-2)25-19(23-18)15-9-8-12-17(14-15)30-16-10-6-5-7-11-16/h5-12,14H,3-4,13H2,1-2H3