7-(3-chloranylbut-2-enyl)-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(3-chloranylbut-2-enyl)-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-(3-chlorobut-2-enyl)-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-(3-chlorobut-2-enyl)-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-(3-chlorobut-2-enyl)-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-(3-chlorobut-2-enyl)-8-(isoamylthio)-3-methyl-xanthine Formula: C15H21ClN4O2S MolecularWeight: 356.87084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H21ClN4O2S/c1-9(2)6-8-23-15-17-12-11(20(15)7-5-10(3)16)13(21)18-14(22)19(12)4/h5,9H,6-8H2,1-4H3,(H,18,21,22)