N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-N4-[4-(methylthio)phenyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-[4-(methylthio)anilino]-s-triazin-2-yl]amine Formula: C24H37N7S MolecularWeight: 455.66248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H37N7S/c1-3-31-16-8-11-20(31)17-25-22-28-23(26-18-9-6-4-5-7-10-18)30-24(29-22)27-19-12-14-21(32-2)15-13-19/h12-15,18,20H,3-11,16-17H2,1-2H3,(H3,25,26,27,28,29,30)