8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-methyl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-methyl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-2-methoxy-1-methyl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-2-methoxy-1-methyl-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-methylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-2-methoxy-1-methyl-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C18H23F3N6O4 MolecularWeight: 444.40823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2.C2HF3O2/c1-4-5-9-22-12-13(19-16(24-3)20(2)14(12)23)18-15(22)21-8-6-7-11(17)10-21;3-2(4,5)1(6)7/h11H,6-10,17H2,1-3H3;(H,6,7)