8-(2-hydroxyethylsulfanyl)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCCOC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O4S/c1-20-14-13(15(23)19-16(20)24)21(17(18-14)26-11-9-22)8-5-10-25-12-6-3-2-4-7-12/h2-4,6-7,22H,5,8-11H2,1H3,(H,19,23,24)