8-(2-methoxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(2-methoxyethylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(2-methoxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(2-methoxyethylthio)-3-methyl-xanthine Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCOC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCOC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O3S/c1-4-5-6-7-18-10-11(15-14(18)22-9-8-21-3)17(2)13(20)16-12(10)19/h4-9H2,1-3H3,(H,16,19,20)