1,3,7-trimethyl-8-propanoyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-propanoyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-propanoyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1-oxopropyl)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-propanoylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-propionyl-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(=O)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O3/c1-5-6(16)8-12-9-7(13(8)2)10(17)15(4)11(18)14(9)3/h5H2,1-4H3