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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfonyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfonyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylsulfonyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfonyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-(2,3-difluorobenzyl)sulfonyl-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C16H15F2N5O4S MolecularWeight: 411.383206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)S(=O)(=O)CC3=C(C(=CC=C3)F)F

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)S(=O)(=O)CC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C16H15F2N5O4S/c1-8(6-24)20-14-13-15(21-11(25)5-19-13)23-16(22-14)28(26,27)7-9-3-2-4-10(17)12(9)18/h2-5,8,24H,6-7H2,1H3,(H2,20,21,22,23,25)