3-[[4-(1-cyclohexylethylamino)-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-(1-cyclohexylethylamino)-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]benzamide Openeye Name: 3-[[4-(1-cyclohexylethylamino)-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]benzamide CAS Name: 3-[[4-(1-cyclohexylethylamino)-6-[3-(1-imidazolyl)propylamino]-1,3,5-triazin-2-yl]amino]benzamide IUPAC Name: 3-[[4-(1-cyclohexylethylamino)-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]benzamide Traditional Name: 3-[[4-(1-cyclohexylethylamino)-6-(3-imidazol-1-ylpropylamino)-s-triazin-2-yl]amino]benzamide Formula: C24H33N9O MolecularWeight: 463.57852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CC(C1CCCCC1)NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C24H33N9O/c1-17(18-7-3-2-4-8-18)28-23-30-22(27-11-6-13-33-14-12-26-16-33)31-24(32-23)29-20-10-5-9-19(15-20)21(25)34/h5,9-10,12,14-18H,2-4,6-8,11,13H2,1H3,(H2,25,34)(H3,27,28,29,30,31,32)