[4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester IUPAC Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C16H11F3N4O2 MolecularWeight: 348.27935

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1OC(=O)C(F)(F)F)C(=NC=N2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC2=C(C1OC(=O)C(F)(F)F)C(=NC=N2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11F3N4O2/c17-16(18,19)15(24)25-12-6-5-11-13(12)14(22-8-21-11)23-10-3-1-9(7-20)2-4-10/h1-4,8,12H,5-6H2,(H,21,22,23)