1,3-dimethyl-7-propanoyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propanoyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-propanoyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-propanoylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-propionyl-xanthine Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H12N4O3/c1-4-6(15)14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5H,4H2,1-3H3