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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(isopropylthio)-3-methyl-xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O2S/c1-5-6-7-17-9-10(14-13(17)20-8(2)3)16(4)12(19)15-11(9)18/h5-6,8H,7H2,1-4H3,(H,15,18,19)/b6-5+