8-but-3-en-2-ylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-but-3-en-2-ylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-(1-methylallylsulfanyl)purine-2,6-dione CAS Name: 8-(but-3-en-2-ylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-but-3-en-2-ylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-(1-methylallylthio)xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O2S/c1-6-8(4)20-13-14-10-9(17(13)7(2)3)11(18)15-12(19)16(10)5/h6-8H,1H2,2-5H3,(H,15,18,19)