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

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

Systemtic Name:8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-(3-chloro-2-hydroxy-propyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-[(3-chloro-2-hydroxypropyl)thio]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-[(3-chloro-2-hydroxy-propyl)thio]-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C18H21ClN4O3S
MolecularWeight: 408.90234
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCCC3=CC=CC=C3


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCCC3=CC=CC=C3


InChI

InChI=1S/C18H21ClN4O3S/c1-22-15-14(16(25)21-17(22)26)23(18(20-15)27-11-13(24)10-19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,24H,5,8-11H2,1H3,(H,21,25,26)


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