8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(3-chloro-2-hydroxy-propyl)thio]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C14H19ClN4O3S MolecularWeight: 358.84366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(CCl)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(CCl)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H19ClN4O3S/c1-8(2)6-19-10-11(16-13(19)23-7-9(20)5-15)17(3)14(22)18(4)12(10)21/h9,20H,1,5-7H2,2-4H3