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

Systemtic Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(3-iodanyl-4-propoxy-phenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(3-iodo-4-propoxy-phenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-N4-(3-iodo-4-propoxyphenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-iodo-4-propoxyphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-iodo-4-propoxy-anilino)-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)NCC3CCCN3CC)NC4CCCCCC4)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3CC)NC4CCCCCC4)I

InChI

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