N-[2-[bis(azanyl)methylideneamino]oxyethyl]-2-[6-methyl-2-oxidanylidene-3-(2-phenylpropylamino)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-phenylpropylamino)pyrazin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(2-guanidinooxyethyl)-2-[6-methyl-2-oxo-3-(2-phenylpropylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-(2-phenylpropylamino)-1-pyrazinyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-(2-phenylpropylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(2-guanidinooxyethyl)-2-[2-keto-6-methyl-3-(2-phenylpropylamino)pyrazin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Formula: C21H28F3N7O5 MolecularWeight: 515.48613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)NCCON=C(N)N)NCC(C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)NCCON=C(N)N)NCC(C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H27N7O3.C2HF3O2/c1-13(15-6-4-3-5-7-15)10-23-17-18(28)26(14(2)11-24-17)12-16(27)22-8-9-29-25-19(20)21;3-2(4,5)1(6)7/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,27)(H,23,24)(H4,20,21,25);(H,6,7)