1-methyl-8-(2-phenylsulfanylethyl)-7-propyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-8-(2-phenylsulfanylethyl)-7-propyl-3H-purine-2,6-dione Openeye Name: 1-methyl-8-(2-phenylsulfanylethyl)-7-propyl-3H-purine-2,6-dione CAS Name: 1-methyl-8-[2-(phenylthio)ethyl]-7-propyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-8-(2-phenylsulfanylethyl)-7-propyl-3H-purine-2,6-dione Traditional Name: 1-methyl-8-[2-(phenylthio)ethyl]-7-propyl-xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2)C)CCSC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2)C)CCSC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-3-10-21-13(9-11-24-12-7-5-4-6-8-12)18-15-14(21)16(22)20(2)17(23)19-15/h4-8H,3,9-11H2,1-2H3,(H,19,23)