2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(1-oxidanylpentan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(1-oxidanylpentan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[1-(hydroxymethyl)butylamino]-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(1-hydroxypentan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxypentan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(1-methylolbutylamino)-8H-pteridin-7-one Formula: C18H19F2N5O2S MolecularWeight: 407.437566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

CCCC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C18H19F2N5O2S/c1-2-4-11(8-26)22-16-15-17(23-13(27)7-21-15)25-18(24-16)28-9-10-5-3-6-12(19)14(10)20/h3,5-7,11,26H,2,4,8-9H2,1H3,(H2,22,23,24,25,27)