1,3,7-trimethyl-8-[2-(2-oxidanylidenechromen-7-yl)oxyethylsulfanyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-(2-oxidanylidenechromen-7-yl)oxyethylsulfanyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-(2-oxochromen-7-yl)oxyethylsulfanyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-[(2-oxo-1-benzopyran-7-yl)oxy]ethylthio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-(2-oxochromen-7-yl)oxyethylsulfanyl]purine-2,6-dione Traditional Name: 8-[2-(2-ketochromen-7-yl)oxyethylthio]-1,3,7-trimethyl-xanthine Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCOC3=CC4=C(C=C3)C=CC(=O)O4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCOC3=CC4=C(C=C3)C=CC(=O)O4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H18N4O5S/c1-21-15-16(22(2)19(26)23(3)17(15)25)20-18(21)29-9-8-27-12-6-4-11-5-7-14(24)28-13(11)10-12/h4-7,10H,8-9H2,1-3H3