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

Systemtic Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(4-phenoxyphenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(4-phenoxyphenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-N4-(4-phenoxyphenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(4-phenoxyphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(4-phenoxyanilino)-s-triazin-2-yl]amine Formula: C29H39N7O MolecularWeight: 501.66626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H39N7O/c1-2-36-20-10-13-24(36)21-30-27-33-28(31-22-11-6-3-4-7-12-22)35-29(34-27)32-23-16-18-26(19-17-23)37-25-14-8-5-9-15-25/h5,8-9,14-19,22,24H,2-4,6-7,10-13,20-21H2,1H3,(H3,30,31,32,33,34,35)