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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-pyrrolidino-s-triazin-2-yl]amine Formula: C21H29FN6O MolecularWeight: 400.492963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)NC4CCCCCC4)F

InChI

InChI=1S/C21H29FN6O/c1-29-18-11-10-16(14-17(18)22)24-20-25-19(23-15-8-4-2-3-5-9-15)26-21(27-20)28-12-6-7-13-28/h10-11,14-15H,2-9,12-13H2,1H3,(H2,23,24,25,26,27)