2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-iodophenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-iodophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-iodophenyl)acetamide Formula: C12H12IN5OS MolecularWeight: 401.22605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H12IN5OS/c13-7-2-1-3-8(4-7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18)