8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-(4,5-dimethyloxazol-2-yl)sulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[(4,5-dimethyl-2-oxazolyl)thio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[(4,5-dimethyloxazol-2-yl)thio]-1,3,9-trimethyl-xanthine Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=C(OC(=N1)SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C13H15N5O3S/c1-6-7(2)21-12(14-6)22-11-15-8-9(16(11)3)17(4)13(20)18(5)10(8)19/h1-5H3