1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylthio)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-hydroxypropylthio)-1,3-dimethyl-xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c1-19-14-13(15(23)20(2)17(19)24)21(11-12-7-4-3-5-8-12)16(18-14)25-10-6-9-22/h3-5,7-8,22H,6,9-11H2,1-2H3