7-(2-methoxyethyl)-8-(4-methylsulfanylphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-methylsulfanylphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(4-methylsulfanylphenyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-[4-(methylthio)phenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-methylsulfanylphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-[4-(methylthio)phenyl]-3-propyl-xanthine Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)SC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)SC)CCOC

InChI

InChI=1S/C18H22N4O3S/c1-4-9-22-16-14(17(23)20-18(22)24)21(10-11-25-2)15(19-16)12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,23,24)