3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-phenethyl-purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-oxopropylthio)-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-oxopropylsulfanyl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(acetonylthio)-3-methyl-7-phenethyl-xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H18N4O3S/c1-11(22)10-25-17-18-14-13(15(23)19-16(24)20(14)2)21(17)9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,19,23,24)