8-(1,3-benzoxazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1,3-benzoxazol-2-ylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(1,3-benzoxazol-2-ylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4O3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4O3)CCOC

InChI

InChI=1S/C16H15N5O4S/c1-20-12-11(13(22)19-14(20)23)21(7-8-24-2)15(18-12)26-16-17-9-5-3-4-6-10(9)25-16/h3-6H,7-8H2,1-2H3,(H,19,22,23)