7-heptyl-3-methyl-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-heptyl-8-(2-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-8-(2-hydroxypropylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-heptyl-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-8-(2-hydroxypropylthio)-3-methyl-xanthine Formula: C16H26N4O3S MolecularWeight: 354.46764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H26N4O3S/c1-4-5-6-7-8-9-20-12-13(17-16(20)24-10-11(2)21)19(3)15(23)18-14(12)22/h11,21H,4-10H2,1-3H3,(H,18,22,23)