2-[5-iodanyl-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol

Systemtic Name: 2-[5-iodanyl-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol Openeye Name: 2-[5-iodo-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol CAS Name: 2-[5-iodo-2-(methylthio)-6-(pentylamino)-4-pyrimidinyl]ethanol IUPAC Name: 2-[5-iodo-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol Traditional Name: 2-[6-(amylamino)-5-iodo-2-(methylthio)pyrimidin-4-yl]ethanol Formula: C12H20IN3OS MolecularWeight: 381.27617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1I)CCO)SC

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1I)CCO)SC

InChI

InChI=1S/C12H20IN3OS/c1-3-4-5-7-14-11-10(13)9(6-8-17)15-12(16-11)18-2/h17H,3-8H2,1-2H3,(H,14,15,16)