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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(1-oxidanylbutan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[1-(hydroxymethyl)propylamino]-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(1-hydroxybutan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxybutan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(1-methylolpropylamino)-8H-pteridin-7-one Formula: C17H17F2N5O2S MolecularWeight: 393.410986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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