7-[(E)-but-2-enyl]-3-methyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-methylallylthio)xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H18N4O2S/c1-5-6-7-18-10-11(15-14(18)21-8-9(2)3)17(4)13(20)16-12(10)19/h5-6H,2,7-8H2,1,3-4H3,(H,16,19,20)/b6-5+