N-[2-[bis(azanyl)methylideneamino]oxyethyl]-2-[6-methyl-2-oxidanylidene-3-(2-phenylbutylamino)pyrazin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-[bis(azanyl)methylideneamino]oxyethyl]-2-[6-methyl-2-oxidanylidene-3-(2-phenylbutylamino)pyrazin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(2-guanidinooxyethyl)-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)-1-pyrazinyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(2-guanidinooxyethyl)-2-[2-keto-6-methyl-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Formula: C22H30F3N7O5 MolecularWeight: 529.51271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NC=C(N(C1=O)CC(=O)NCCON=C(N)N)C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCC(CNC1=NC=C(N(C1=O)CC(=O)NCCON=C(N)N)C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H29N7O3.C2HF3O2/c1-3-15(16-7-5-4-6-8-16)12-25-18-19(29)27(14(2)11-24-18)13-17(28)23-9-10-30-26-20(21)22;3-2(4,5)1(6)7/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,23,28)(H,24,25)(H4,21,22,26);(H,6,7)