8-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C20H22FN9O2S MolecularWeight: 471.511183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N(C)C)N)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N(C)C)N)CC4=CC=CC=C4F

InChI

InChI=1S/C20H22FN9O2S/c1-27(2)18-24-13(23-17(22)26-18)10-33-19-25-15-14(16(31)29(4)20(32)28(15)3)30(19)9-11-7-5-6-8-12(11)21/h5-8H,9-10H2,1-4H3,(H2,22,23,24,26)