[2-[(2-fluorophenyl)methylsulfanyl]-6-(1-oxidanylpropan-2-ylamino)-7H-purin-8-yl]carbamic acid

Systemtic Name: [2-[(2-fluorophenyl)methylsulfanyl]-6-(1-oxidanylpropan-2-ylamino)-7H-purin-8-yl]carbamic acid Openeye Name: [2-[(2-fluorophenyl)methylsulfanyl]-6-[(2-hydroxy-1-methyl-ethyl)amino]-7H-purin-8-yl]carbamic acid CAS Name: [2-[(2-fluorophenyl)methylthio]-6-(1-hydroxypropan-2-ylamino)-7H-purin-8-yl]carbamic acid IUPAC Name: [2-[(2-fluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-ylamino)-7H-purin-8-yl]carbamic acid Traditional Name: [2-[(2-fluorobenzyl)thio]-6-[(2-hydroxy-1-methyl-ethyl)amino]-7H-purin-8-yl]carbamic acid Formula: C16H17FN6O3S MolecularWeight: 392.407983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1NC(=N2)NC(=O)O)SCC3=CC=CC=C3F

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1NC(=N2)NC(=O)O)SCC3=CC=CC=C3F

InChI

InChI=1S/C16H17FN6O3S/c1-8(6-24)18-12-11-13(20-14(19-11)23-16(25)26)22-15(21-12)27-7-9-4-2-3-5-10(9)17/h2-5,8,24H,6-7H2,1H3,(H,25,26)(H3,18,19,20,21,22,23)