N2-(3-chloranyl-4-ethoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-(3-chloranyl-4-ethoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(3-chloro-4-ethoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-chloro-4-ethoxyphenyl)-N6-cycloheptyl-N4-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-chloro-4-ethoxyphenyl)-6-N-cycloheptyl-4-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-ethoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-(1-pyrrolidin-2-ylpropyl)amine Formula: C25H38ClN7O MolecularWeight: 488.06852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)Cl

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)Cl

InChI

InChI=1S/C25H38ClN7O/c1-3-20(21-12-9-15-27-21)30-25-32-23(28-17-10-7-5-6-8-11-17)31-24(33-25)29-18-13-14-22(34-4-2)19(26)16-18/h13-14,16-17,20-21,27H,3-12,15H2,1-2H3,(H3,28,29,30,31,32,33)