1,3-dimethyl-7-(2-methylbut-3-enyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylbut-3-enyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylbut-3-enyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylbut-3-enyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylbut-3-enyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbut-3-enyl)xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C=C

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C=C

InChI

InChI=1S/C12H16N4O2/c1-5-8(2)6-16-7-13-10-9(16)11(17)15(4)12(18)14(10)3/h5,7-8H,1,6H2,2-4H3