4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Systemtic Name: 4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]piperazine-1-carboxylate Openeye Name: 4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[(1-ethyl-2-pyrrolidinyl)methylamino]-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]-1-piperazinecarboxylate IUPAC Name: 4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]piperazine-1-carboxylate Formula: C22H30FN8O3- MolecularWeight: 473.523803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N4CCN(CC4)C(=O)[O-]

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N4CCN(CC4)C(=O)[O-]

InChI

InChI=1S/C22H31FN8O3/c1-3-29-8-4-5-16(29)14-24-19-26-20(25-15-6-7-18(34-2)17(23)13-15)28-21(27-19)30-9-11-31(12-10-30)22(32)33/h6-7,13,16H,3-5,8-12,14H2,1-2H3,(H,32,33)(H2,24,25,26,27,28)/p-1