1-[3-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[2-(2-furyl)quinazolin-4-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[2-(2-furanyl)-4-quinazolinyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[2-(2-furyl)quinazolin-4-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C22H20N6O3S/c1-26-13-23-19-17(26)21(29)28(22(30)27(19)2)10-6-12-32-20-14-7-3-4-8-15(14)24-18(25-20)16-9-5-11-31-16/h3-5,7-9,11,13H,6,10,12H2,1-2H3