[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl] 2,2,2-tris(fluoranyl)ethanoate; ethanamide

Systemtic Name: [7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl] 2,2,2-tris(fluoranyl)ethanoate; ethanamide Openeye Name: acetamide; [7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl] 2,2,2-trifluoroacetate CAS Name: acetamide; 2,2,2-trifluoroacetic acid [7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: acetamide; [7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl] 2,2,2-trifluoroacetate Traditional Name: acetamide; 2,2,2-trifluoroacetic acid [7-(2-chlorophenyl)-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl] ester Formula: C27H27ClF3N7O5 MolecularWeight: 621.99539

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N.C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3OC(=O)C(F)(F)F)CCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N.C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3OC(=O)C(F)(F)F)CCC5=CC=CC=C5

InChI

InChI=1S/C25H22ClF3N6O4.C2H5NO/c26-17-8-4-5-9-18(17)34-19-20(31-23(34)32-14-11-30-12-15-32)35(39-22(37)25(27,28)29)24(38)33(21(19)36)13-10-16-6-2-1-3-7-16;1-2(3)4/h1-9,30H,10-15H2;1H3,(H2,3,4)