8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(2-methoxyethylthio)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(2-methoxyethylthio)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCOC)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCOC)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-21-16-15(17(24)22(2)19(21)25)23(18(20-16)27-13-12-26-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3