3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

Systemtic Name: 3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione Openeye Name: 3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione CAS Name: 3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione IUPAC Name: 3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione Traditional Name: 3-(4-butylphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(NC(=O)N(C3=O)C)N=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(NC(=O)N(C3=O)C)N=N2

InChI

InChI=1S/C16H17N5O2/c1-3-4-5-10-6-8-11(9-7-10)13-17-12-14(20-19-13)18-16(23)21(2)15(12)22/h6-9H,3-5H2,1-2H3,(H,18,20,23)