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

Systemtic Name: N6-cycloheptyl-N2-(3-iodanyl-4-propoxy-phenyl)-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-cycloheptyl-N2-(3-iodo-4-propoxy-phenyl)-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-cycloheptyl-N2-(3-iodo-4-propoxyphenyl)-N4-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-cycloheptyl-2-N-(3-iodo-4-propoxyphenyl)-4-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-iodo-4-propoxy-anilino)-6-(1-pyrrolidin-2-ylpropylamino)-s-triazin-2-yl]amine Formula: C26H40IN7O MolecularWeight: 593.54657

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC(CC)C3CCCN3)NC4CCCCCC4)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC(CC)C3CCCN3)NC4CCCCCC4)I

InChI

InChI=1S/C26H40IN7O/c1-3-16-35-23-14-13-19(17-20(23)27)30-25-32-24(29-18-10-7-5-6-8-11-18)33-26(34-25)31-21(4-2)22-12-9-15-28-22/h13-14,17-18,21-22,28H,3-12,15-16H2,1-2H3,(H3,29,30,31,32,33,34)