1-ethyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1-ethyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-ethyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 1-ethyl-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-ethyl-7-isopropyl-3-methyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2C(C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2C(C)C)N(C1=O)C

InChI

InChI=1S/C11H16N4O2/c1-5-14-10(16)8-9(13(4)11(14)17)12-6-15(8)7(2)3/h6-7H,5H2,1-4H3