2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-(3,5-dimethylpiperazin-1-yl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-(3,5-dimethylpiperazin-1-yl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3,5-dimethylpiperazin-1-yl)-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-6-(3,5-dimethyl-1-piperazinyl)-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3,5-dimethylpiperazin-1-yl)-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-6-(3,5-dimethylpiperazino)-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C22H27F2N7O2S MolecularWeight: 491.557286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC3=C(NC2=O)N=C(N=C3NC(C)CO)SCC4=C(C(=CC=C4)F)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC3=C(NC2=O)N=C(N=C3NC(C)CO)SCC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C22H27F2N7O2S/c1-11-7-31(8-12(2)25-11)20-21(33)28-19-17(27-20)18(26-13(3)9-32)29-22(30-19)34-10-14-5-4-6-15(23)16(14)24/h4-6,11-13,25,32H,7-10H2,1-3H3,(H2,26,28,29,30,33)