2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-6-methyl-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-6-methyl-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-6-methyl-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-6-methyl-8H-pteridin-7-one Formula: C17H17F2N5O2S MolecularWeight: 393.410986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC1=O)N=C(N=C2NC(C)CO)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

CC1=NC2=C(NC1=O)N=C(N=C2NC(C)CO)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C17H17F2N5O2S/c1-8(6-25)20-14-13-15(22-16(26)9(2)21-13)24-17(23-14)27-7-10-4-3-5-11(18)12(10)19/h3-5,8,25H,6-7H2,1-2H3,(H2,20,22,23,24,26)