3-methyl-7-propan-2-yl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-propan-2-yl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-propan-2-yl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-propan-2-yl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-isopropyl-3-methyl-xanthine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O2S/c1-5-6-19-12-13-9-8(16(12)7(2)3)10(17)14-11(18)15(9)4/h5,7H,1,6H2,2-4H3,(H,14,17,18)