7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H22N4O3S/c1-5-12-27-18-20-16-15(17(24)22(3)19(25)21(16)2)23(18)11-10-13-6-8-14(26-4)9-7-13/h5-9H,1,10-12H2,2-4H3