3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-3-12-25-18-19-15-14(16(23)20-17(24)21(15)2)22(18)11-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)