4-[[4-(cycloheptylamino)-6-pyrrolidin-2-ylcarbonyloxy-1,3,5-triazin-2-yl]amino]-2-fluoranyl-phenolate

Systemtic Name: 4-[[4-(cycloheptylamino)-6-pyrrolidin-2-ylcarbonyloxy-1,3,5-triazin-2-yl]amino]-2-fluoranyl-phenolate Openeye Name: 4-[[4-(cycloheptylamino)-6-(pyrrolidine-2-carbonyloxy)-1,3,5-triazin-2-yl]amino]-2-fluoro-phenolate CAS Name: 4-[[4-(cycloheptylamino)-6-[oxo(2-pyrrolidinyl)methoxy]-1,3,5-triazin-2-yl]amino]-2-fluorophenolate IUPAC Name: 4-[[4-(cycloheptylamino)-6-(pyrrolidine-2-carbonyloxy)-1,3,5-triazin-2-yl]amino]-2-fluorophenolate Traditional Name: 4-[[4-(cycloheptylamino)-6-prolyloxy-s-triazin-2-yl]amino]-2-fluoro-phenolate Formula: C21H26FN6O3- MolecularWeight: 429.467943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)[O-])F)OC(=O)C4CCCN4

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)[O-])F)OC(=O)C4CCCN4

InChI

InChI=1S/C21H27FN6O3/c22-15-12-14(9-10-17(15)29)25-20-26-19(24-13-6-3-1-2-4-7-13)27-21(28-20)31-18(30)16-8-5-11-23-16/h9-10,12-13,16,23,29H,1-8,11H2,(H2,24,25,26,27,28)/p-1