(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H22FN5O2/c23-17-11-5-4-10-16(17)22(12-6-7-13-22)19(29)30-14-18-26-20(24)28-21(27-18)25-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H3,24,25,26,27,28)