1,3-dimethyl-8-phenacylsulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenacylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-phenacylsulfanyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenacylthio)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenacylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(phenacylthio)-7-propyl-xanthine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O3S/c1-4-10-22-14-15(20(2)18(25)21(3)16(14)24)19-17(22)26-11-13(23)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3