8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-methyl-6-oxo-purine-2-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurine-2-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-1-methyl-purine-2-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C18H20F3N7O3 MolecularWeight: 439.39171

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCCC(C3)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCCC(C3)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H19N7O.C2HF3O2/c1-3-4-8-23-13-14(19-12(9-17)21(2)15(13)24)20-16(23)22-7-5-6-11(18)10-22;3-2(4,5)1(6)7/h11H,5-8,10,18H2,1-2H3;(H,6,7)