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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methoxy-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-6-methoxy-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-6-methoxy-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-6-methoxy-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-6-methoxy-8H-pteridin-7-one Formula: C17H17F2N5O3S MolecularWeight: 409.410386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N5O3S/c1-8(6-25)20-13-12-14(22-15(26)16(21-12)27-2)24-17(23-13)28-7-9-4-3-5-10(18)11(9)19/h3-5,8,25H,6-7H2,1-2H3,(H2,20,22,23,24,26)