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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-3-methyl-7-nonyl-xanthine Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N4O3S/c1-3-4-5-6-7-8-9-10-21-13-14(18-17(21)25-12-11-22)20(2)16(24)19-15(13)23/h22H,3-12H2,1-2H3,(H,19,23,24)