N4-cycloheptyl-N6-(3-fluoranyl-4-methoxy-phenyl)-N2-methyl-N2-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-cycloheptyl-N6-(3-fluoranyl-4-methoxy-phenyl)-N2-methyl-N2-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-cycloheptyl-N6-(3-fluoro-4-methoxy-phenyl)-N2-methyl-N2-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-cycloheptyl-N6-(3-fluoro-4-methoxyphenyl)-N2-methyl-N2-(4-methyl-1-piperazinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-cycloheptyl-6-N-(3-fluoro-4-methoxyphenyl)-2-N-methyl-2-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]-methyl-(4-methylpiperazino)amine Formula: C23H35FN8O MolecularWeight: 458.575403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35FN8O/c1-30-12-14-32(15-13-30)31(2)23-28-21(25-17-8-6-4-5-7-9-17)27-22(29-23)26-18-10-11-20(33-3)19(24)16-18/h10-11,16-17H,4-9,12-15H2,1-3H3,(H2,25,26,27,28,29)