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

Systemtic Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(2-methoxyethylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(2-methoxyethylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(18(19-15)26-12-11-25-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)