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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(2-hydroxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(2-hydroxyethylthio)-3,7-dimethyl-xanthine Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N4O3S/c1-18-12-13(17-15(18)24-9-8-21)19(2)16(23)20(14(12)22)10-11-6-4-3-5-7-11/h3-7,21H,8-10H2,1-2H3