7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-yl-purin-8-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-yl-purin-8-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-yl-purin-8-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-(1-piperazinyl)-8-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-ylpurin-8-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazino-purin-8-one; 2,2,2-trifluoroacetic acid Formula: C20H25F3N6O4 MolecularWeight: 470.44551

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)CC4CC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)CC4CC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H24N6O2.C2HF3O2/c1-3-4-9-23-14-15(22-10-7-19-8-11-22)20-17(26-2)21-16(14)24(18(23)25)12-13-5-6-13;3-2(4,5)1(6)7/h13,19H,5-12H2,1-2H3;(H,6,7)