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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H20N4O3S/c1-11(22)10-25-16-18-14-13(15(23)20(3)17(24)19(14)2)21(16)9-12-7-5-4-6-8-12/h4-8,11,22H,9-10H2,1-3H3