About 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 162137427) has the molecular formula C104H114F15N31O18
and a molecular weight of 2371.22 g/mol. Its IUPAC name is 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid).
Analyze 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) (CID 162137427) is 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) is C#CCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.CCOC(=O)Cn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.CCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.COCCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.N#CCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The InChIKey is UWEFRJDOYWUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3.C19H24N6O2.C19H20N6O.C18H19N7O.C18H22N6O.5C2HF3O2/c1-2-29-16(27)13-25-14-22-18-17(19(25)28)26(12-15-6-4-3-5-7-15)20(23-18)24-10-8-21-9-11-24;1-27-12-11-24-14-21-17-16(18(24)26)25(13-15-5-3-2-4-6-15)19(22-17)23-9-7-20-8-10-23;1-2-10-24-14-21-17-16(18(24)26)25(13-15-6-4-3-5-7-15)19(22-17)23-11-8-20-9-12-23;19-6-9-24-13-21-16-15(17(24)26)25(12-14-4-2-1-3-5-14)18(22-16)23-10-7-20-8-11-23;1-2-22-13-20-16-15(17(22)25)24(12-14-6-4-3-5-7-14)18(21-16)23-10-8-19-9-11-23;5*3-2(4,5)1(6)7/h3-7,14,21H,2,8-13H2,1H3;2-6,14,20H,7-13H2,1H3;1,3-7,14,20H,8-13H2;1-5,13,20H,7-12H2;3-7,13,19H,2,8-12H2,1H3;5*(H,6,7).
What are the key properties of 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2371.22 g/mol, XLogP of 6.81, 24 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperazin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162137427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).