3-butyl-8-(cyclopentylsulfanylmethyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(cyclopentylsulfanylmethyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(cyclopentylsulfanylmethyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[(cyclopentylthio)methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(cyclopentylsulfanylmethyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[(cyclopentylthio)methyl]-7-methyl-xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3CCCC3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3CCCC3)C

InChI

InChI=1S/C16H24N4O2S/c1-3-4-9-20-14-13(15(21)18-16(20)22)19(2)12(17-14)10-23-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,18,21,22)