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

Systemtic Name: 3-ethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 3-ethyl-7-isopropyl-purine-2,6-dione CAS Name: 3-ethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-ethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 3-ethyl-7-isopropyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C=N2)C(C)C

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C=N2)C(C)C

InChI

InChI=1S/C10H14N4O2/c1-4-13-8-7(9(15)12-10(13)16)14(5-11-8)6(2)3/h5-6H,4H2,1-3H3,(H,12,15,16)