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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-[4-(2-pyridyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-[4-(2-pyridyl)piperazino]-s-triazin-2-yl]amine Formula: C26H33FN8O MolecularWeight: 492.591623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)NC5CCCCCC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)NC5CCCCCC5)F

InChI

InChI=1S/C26H33FN8O/c1-36-22-12-11-20(18-21(22)27)30-25-31-24(29-19-8-4-2-3-5-9-19)32-26(33-25)35-16-14-34(15-17-35)23-10-6-7-13-28-23/h6-7,10-13,18-19H,2-5,8-9,14-17H2,1H3,(H2,29,30,31,32,33)