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

Systemtic Name: 3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(2-oxopropylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-oxopropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H20N4O3S/c1-12(23)11-26-18-19-15-14(16(24)20-17(25)21(15)2)22(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3,(H,20,24,25)