4-[[4-azanyl-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(4-iodoanilino)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-(4-iodoanilino)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(4-iodoanilino)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(4-iodoanilino)-s-triazin-2-yl]amino]benzonitrile Formula: C16H12IN7 MolecularWeight: 429.21785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H12IN7/c17-11-3-7-13(8-4-11)21-16-23-14(19)22-15(24-16)20-12-5-1-10(9-18)2-6-12/h1-8H,(H4,19,20,21,22,23,24)