5-[(3,4,5-triethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one

Systemtic Name: 5-[(3,4,5-triethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one Openeye Name: 5-[(3,4,5-triethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one CAS Name: 5-[(3,4,5-triethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one IUPAC Name: 5-[(3,4,5-triethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one Traditional Name: 5-[(3,4,5-triethoxybenzyl)amino]-2H-1,2,4-triazin-3-one Formula: C16H22N4O4 MolecularWeight: 334.37028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC2=NC(=O)NN=C2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC2=NC(=O)NN=C2

InChI

InChI=1S/C16H22N4O4/c1-4-22-12-7-11(8-13(23-5-2)15(12)24-6-3)9-17-14-10-18-20-16(21)19-14/h7-8,10H,4-6,9H2,1-3H3,(H2,17,19,20,21)