1-[3-[[4-[[2,6-bis(chloranyl)phenyl]methyl]-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl]amino]propyl]urea

Systemtic Name: 1-[3-[[4-[[2,6-bis(chloranyl)phenyl]methyl]-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl]amino]propyl]urea Openeye Name: 3-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]propylurea CAS Name: 3-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]propylurea IUPAC Name: 3-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]propylurea Traditional Name: 3-[[4-(4-cyanoanilino)-6-(2,6-dichlorobenzyl)-s-triazin-2-yl]amino]propylurea Formula: C21H20Cl2N8O MolecularWeight: 471.3425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=NC(=NC(=N2)NCCCNC(=O)N)NC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=NC(=NC(=N2)NCCCNC(=O)N)NC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H20Cl2N8O/c22-16-3-1-4-17(23)15(16)11-18-29-20(27-10-2-9-26-19(25)32)31-21(30-18)28-14-7-5-13(12-24)6-8-14/h1,3-8H,2,9-11H2,(H3,25,26,32)(H2,27,28,29,30,31)