2-butoxyethanoic acid; N-methyl-5,6-diphenyl-1,2,4-triazin-3-amine

Systemtic Name: 2-butoxyethanoic acid; N-methyl-5,6-diphenyl-1,2,4-triazin-3-amine Openeye Name: 2-butoxyacetic acid; N-methyl-5,6-diphenyl-1,2,4-triazin-3-amine CAS Name: 2-butoxyacetic acid; N-methyl-5,6-diphenyl-1,2,4-triazin-3-amine IUPAC Name: 2-butoxyacetic acid; N-methyl-5,6-diphenyl-1,2,4-triazin-3-amine Traditional Name: 2-butoxyacetic acid; (5,6-diphenyl-1,2,4-triazin-3-yl)-methyl-amine Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)O.CNC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOCC(=O)O.CNC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4.C6H12O3/c1-17-16-18-14(12-8-4-2-5-9-12)15(19-20-16)13-10-6-3-7-11-13;1-2-3-4-9-5-6(7)8/h2-11H,1H3,(H,17,18,20);2-5H2,1H3,(H,7,8)