8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-3-methyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(3-chloro-2-hydroxy-propyl)thio]-3-methyl-7-nonyl-xanthine Formula: C18H29ClN4O3S MolecularWeight: 416.96586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29ClN4O3S/c1-3-4-5-6-7-8-9-10-23-14-15(22(2)17(26)21-16(14)25)20-18(23)27-12-13(24)11-19/h13,24H,3-12H2,1-2H3,(H,21,25,26)