N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-[(1-methylpyrrol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-[(1-methylpyrrol-2-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-[(1-methylpyrrol-2-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-[(1-methyl-2-pyrrolyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-[(1-methylpyrrol-2-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-[(1-methylpyrrol-2-yl)methyl]-s-triazin-2-yl]amine Formula: C23H29FN6O MolecularWeight: 424.514363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C=CC=C1CC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H29FN6O/c1-30-13-7-10-18(30)15-21-27-22(25-16-8-5-3-4-6-9-16)29-23(28-21)26-17-11-12-20(31-2)19(24)14-17/h7,10-14,16H,3-6,8-9,15H2,1-2H3,(H2,25,26,27,28,29)