1-ethyl-9-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-ethyl-9-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-ethyl-9-methyl-3-propyl-purine-2,6-dione CAS Name: 1-ethyl-9-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-ethyl-9-methyl-3-propylpurine-2,6-dione Traditional Name: 1-ethyl-9-methyl-3-propyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N=CN2C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N=CN2C

InChI

InChI=1S/C11H16N4O2/c1-4-6-15-9-8(12-7-13(9)3)10(16)14(5-2)11(15)17/h7H,4-6H2,1-3H3