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

Systemtic Name: 2-azanyl-4-[(4-iodophenyl)amino]-3-(1,3,5-triazin-2-yl)benzenecarbonitrile Openeye Name: 2-amino-4-(4-iodoanilino)-3-(1,3,5-triazin-2-yl)benzonitrile CAS Name: 2-amino-4-(4-iodoanilino)-3-(1,3,5-triazin-2-yl)benzonitrile IUPAC Name: 2-amino-4-(4-iodoanilino)-3-(1,3,5-triazin-2-yl)benzonitrile Traditional Name: 2-amino-4-(4-iodoanilino)-3-(s-triazin-2-yl)benzonitrile Formula: C16H11IN6 MolecularWeight: 414.20321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C=C2)C#N)N)C3=NC=NC=N3)I

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C=C2)C#N)N)C3=NC=NC=N3)I

InChI

InChI=1S/C16H11IN6/c17-11-2-4-12(5-3-11)23-13-6-1-10(7-18)15(19)14(13)16-21-8-20-9-22-16/h1-6,8-9,23H,19H2