1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-oxopropylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxopropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-13(24)12-27-18-20-16-15(17(25)22(3)19(26)21(16)2)23(18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3