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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-iodophenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-iodophenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-iodophenyl)propionamide Formula: C13H14IN5OS MolecularWeight: 415.25263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)I

InChI

InChI=1S/C13H14IN5OS/c14-8-1-3-9(4-2-8)17-12(20)5-6-21-13-18-10(15)7-11(16)19-13/h1-4,7H,5-6H2,(H,17,20)(H4,15,16,18,19)