N4-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-cycloheptyl-N2-(3-fluoro-4-methoxy-phenyl)-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-cycloheptyl-N2-(3-fluoro-4-methoxyphenyl)-N2-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(cycloheptylamino)-s-triazin-2-yl]-(3-fluoro-4-methoxy-phenyl)-(1-pyrrolidin-2-ylpropyl)amine Formula: C24H36FN7O MolecularWeight: 457.587343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)N(C2=CC(=C(C=C2)OC)F)C3=NC(=NC(=N3)NC4CCCCCC4)N

Isomeric SMILES

CCC(C1CCCN1)N(C2=CC(=C(C=C2)OC)F)C3=NC(=NC(=N3)NC4CCCCCC4)N

InChI

InChI=1S/C24H36FN7O/c1-3-20(19-11-8-14-27-19)32(17-12-13-21(33-2)18(25)15-17)24-30-22(26)29-23(31-24)28-16-9-6-4-5-7-10-16/h12-13,15-16,19-20,27H,3-11,14H2,1-2H3,(H3,26,28,29,30,31)