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

Systemtic Name: N4-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N2-(isocyanomethyl)-N2-phenyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N2-(isocyanomethyl)-N2-phenyl-1,3,5-triazine-2,4,6-triamine CAS Name: N4-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-N2-(isocyanomethyl)-N2-phenyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(isocyanomethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(cycloheptylamino)-6-[(1-ethylpyrrolidin-2-yl)methylamino]-s-triazin-2-yl]-(isocyanomethyl)-phenyl-amine Formula: C25H36N8 MolecularWeight: 448.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)N(C[N+]#[C-])C4=CC=CC=C4

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)N(C[N+]#[C-])C4=CC=CC=C4

InChI

InChI=1S/C25H36N8/c1-3-32-17-11-16-22(32)18-27-23-29-24(28-20-12-7-4-5-8-13-20)31-25(30-23)33(19-26-2)21-14-9-6-10-15-21/h6,9-10,14-15,20,22H,3-5,7-8,11-13,16-19H2,1H3,(H2,27,28,29,30,31)