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

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(3-chloro-2-hydroxy-propyl)thio]-7-isoamyl-3-methyl-xanthine Formula: C14H21ClN4O3S MolecularWeight: 360.85954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21ClN4O3S/c1-8(2)4-5-19-10-11(18(3)13(22)17-12(10)21)16-14(19)23-7-9(20)6-15/h8-9,20H,4-7H2,1-3H3,(H,17,21,22)