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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-(1-pyrrolidin-2-ylpropoxy)-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-(1-pyrrolidin-2-ylpropoxy)-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-[1-(2-pyrrolidinyl)propoxy]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-(1-pyrrolidin-2-ylpropoxy)-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(1-pyrrolidin-2-ylpropoxy)-s-triazin-2-yl]amine Formula: C24H35FN6O2 MolecularWeight: 458.572103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)OC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCC(C1CCCN1)OC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H35FN6O2/c1-3-20(19-11-8-14-26-19)33-24-30-22(27-16-9-6-4-5-7-10-16)29-23(31-24)28-17-12-13-21(32-2)18(25)15-17/h12-13,15-16,19-20,26H,3-11,14H2,1-2H3,(H2,27,28,29,30,31)