3-methyl-7-(3-phenylpropyl)-6-prop-2-enylsulfanyl-9H-purine-2,8-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-6-prop-2-enylsulfanyl-9H-purine-2,8-dione Openeye Name: 6-allylsulfanyl-3-methyl-7-(3-phenylpropyl)-9H-purine-2,8-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-6-(prop-2-enylthio)-9H-purine-2,8-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-6-prop-2-enylsulfanyl-9H-purine-2,8-dione Traditional Name: 6-(allylthio)-3-methyl-7-(3-phenylpropyl)-9H-purine-2,8-quinone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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