2-azanyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-cyclopent-2-en-1-yl-3-methyl-pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-cyclopent-2-en-1-yl-3-methyl-pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-5-cyclopent-2-en-1-yl-3-methyl-pentanoate; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-5-(1-cyclopent-2-enyl)-3-methylpentanoate; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-5-cyclopent-2-en-1-yl-3-methylpentanoate; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-5-(2-amino-6-keto-3H-purin-9-yl)-5-cyclopent-2-en-1-yl-3-methyl-valerate; 2,2,2-trifluoroacetic acid Formula: C18H22F3N6O5- MolecularWeight: 459.39969

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1CCC=C1)N2C=NC3=C2NC(=NC3=O)N)C(C(=O)[O-])N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(CC(C1CCC=C1)N2C=NC3=C2NC(=NC3=O)N)C(C(=O)[O-])N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H22N6O3.C2HF3O2/c1-8(11(17)15(24)25)6-10(9-4-2-3-5-9)22-7-19-12-13(22)20-16(18)21-14(12)23;3-2(4,5)1(6)7/h2,4,7-11H,3,5-6,17H2,1H3,(H,24,25)(H3,18,20,21,23);(H,6,7)/p-1