N4-tert-butyl-N6-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-tert-butyl-N6-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-tert-butyl-N6-cycloheptyl-N2-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-tert-butyl-N6-cycloheptyl-N2-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-tert-butyl-6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: tert-butyl-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]amine Formula: C21H31FN6O MolecularWeight: 402.508843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=N1)NC2CCCCCC2)NC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=N1)NC2CCCCCC2)NC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H31FN6O/c1-21(2,3)28-20-26-18(23-14-9-7-5-6-8-10-14)25-19(27-20)24-15-11-12-17(29-4)16(22)13-15/h11-14H,5-10H2,1-4H3,(H3,23,24,25,26,27,28)