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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(4-methylpiperazino)-s-triazin-2-yl]amine Formula: C22H32FN7O MolecularWeight: 429.534183

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H32FN7O/c1-29-11-13-30(14-12-29)22-27-20(24-16-7-5-3-4-6-8-16)26-21(28-22)25-17-9-10-19(31-2)18(23)15-17/h9-10,15-16H,3-8,11-14H2,1-2H3,(H2,24,25,26,27,28)