3-methyl-8-propan-2-ylsulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-propan-2-ylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(propan-2-ylthio)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-propan-2-ylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-3-methyl-7-propyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O2S/c1-5-6-16-8-9(13-12(16)19-7(2)3)15(4)11(18)14-10(8)17/h7H,5-6H2,1-4H3,(H,14,17,18)