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

Systemtic Name: N6-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-N4-(1-methylsulfonylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-cycloheptyl-N2-(3-fluoro-4-methoxy-phenyl)-N4-(1-methylsulfonyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-cycloheptyl-N2-(3-fluoro-4-methoxyphenyl)-N4-(1-methylsulfonyl-4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(1-methylsulfonylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-[(1-mesyl-4-piperidyl)amino]-s-triazin-2-yl]amine Formula: C23H34FN7O3S MolecularWeight: 507.624563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCN(CC3)S(=O)(=O)C)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCN(CC3)S(=O)(=O)C)NC4CCCCCC4)F

InChI

InChI=1S/C23H34FN7O3S/c1-34-20-10-9-18(15-19(20)24)27-23-29-21(25-16-7-5-3-4-6-8-16)28-22(30-23)26-17-11-13-31(14-12-17)35(2,32)33/h9-10,15-17H,3-8,11-14H2,1-2H3,(H3,25,26,27,28,29,30)