8-butylsulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-isopropyl-1,3-dimethyl-xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H22N4O2S/c1-6-7-8-21-13-15-11-10(18(13)9(2)3)12(19)17(5)14(20)16(11)4/h9H,6-8H2,1-5H3