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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1SCCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

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