1,3-dimethyl-8-phenacylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenacylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenacylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenacylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(phenacylthio)xanthine Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-4-10-22-14-15(20(2)18(25)21(3)16(14)24)19-17(22)26-11-13(23)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3