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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-(phenacylthio)xanthine Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H18N4O3S/c1-3-4-10-22-14-15(21(2)17(25)20-16(14)24)19-18(22)26-11-13(23)12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,20,24,25)/b4-3+