1,3-dimethyl-8-(phenylmethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenylmethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-benzylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenylmethylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(benzylthio)-1,3-dimethyl-xanthine Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C17H18N4O2S/c1-4-10-21-13-14(19(2)17(23)20(3)15(13)22)18-16(21)24-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3