1-[3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3-fluoro-4-methoxyphenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3-fluoro-4-methoxy-benzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C18H21FN4O3S/c1-21-11-20-16-15(21)17(24)23(18(25)22(16)2)7-4-8-27-10-12-5-6-14(26-3)13(19)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3