2-[[[4-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]pyrrolidine-1-carboxamide

Systemtic Name: 2-[[[4-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]pyrrolidine-1-carboxamide Openeye Name: 2-[[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidine-1-carboxamide CAS Name: 2-[[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-pyrrolidinecarboxamide IUPAC Name: 2-[[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidine-1-carboxamide Traditional Name: 2-[[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]amino]methyl]pyrrolidine-1-carboxamide Formula: C23H33FN8O2 MolecularWeight: 472.558923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3C(=O)N)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3C(=O)N)NC4CCCCCC4)F

InChI

InChI=1S/C23H33FN8O2/c1-34-19-11-10-16(13-18(19)24)28-23-30-21(26-14-17-9-6-12-32(17)20(25)33)29-22(31-23)27-15-7-4-2-3-5-8-15/h10-11,13,15,17H,2-9,12,14H2,1H3,(H2,25,33)(H3,26,27,28,29,30,31)