7-(2-methoxyethyl)-3-methyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(phenacylthio)xanthine Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCOC

InChI

InChI=1S/C17H18N4O4S/c1-20-14-13(15(23)19-16(20)24)21(8-9-25-2)17(18-14)26-10-12(22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,19,23,24)