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

Systemtic Name: 2-[4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-1,3,5-triazin-2-yl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4-[(1-ethyl-2-pyrrolidinyl)methylamino]-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]piperazino]-1-pyrrolidino-ethanone Formula: C27H40FN9O2 MolecularWeight: 541.664003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N4CCN(CC4)CC(=O)N5CCCC5

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N4CCN(CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C27H40FN9O2/c1-3-35-12-6-7-21(35)18-29-25-31-26(30-20-8-9-23(39-2)22(28)17-20)33-27(32-25)37-15-13-34(14-16-37)19-24(38)36-10-4-5-11-36/h8-9,17,21H,3-7,10-16,18-19H2,1-2H3,(H2,29,30,31,32,33)