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

Systemtic Name: 6-azanyl-2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 6-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 6-amino-2-[(2,3-difluorophenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 6-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 6-amino-2-[(2,3-difluorobenzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C16H16F2N6O2S MolecularWeight: 394.399046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F2N6O2S/c1-7(5-25)20-13-11-14(22-15(26)12(19)21-11)24-16(23-13)27-6-8-3-2-4-9(17)10(8)18/h2-4,7,25H,5-6H2,1H3,(H2,19,21)(H2,20,22,23,24,26)