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

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(3-chloro-2-hydroxy-propyl)thio]-3-methyl-7-propyl-xanthine Formula: C12H17ClN4O3S MolecularWeight: 332.80638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H17ClN4O3S/c1-3-4-17-8-9(16(2)11(20)15-10(8)19)14-12(17)21-6-7(18)5-13/h7,18H,3-6H2,1-2H3,(H,15,19,20)