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

Systemtic Name: 2-[5-bromanyl-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol Openeye Name: 2-[5-bromo-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol CAS Name: 2-[5-bromo-2-(methylthio)-6-(pentylamino)-4-pyrimidinyl]ethanol IUPAC Name: 2-[5-bromo-2-methylsulfanyl-6-(pentylamino)pyrimidin-4-yl]ethanol Traditional Name: 2-[6-(amylamino)-5-bromo-2-(methylthio)pyrimidin-4-yl]ethanol Formula: C12H20BrN3OS MolecularWeight: 334.2757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1Br)CCO)SC

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1Br)CCO)SC

InChI

InChI=1S/C12H20BrN3OS/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)