1-but-3-en-2-yl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-but-3-en-2-yl-3,7-dimethyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(1-methylallyl)purine-2,6-dione CAS Name: 1-but-3-en-2-yl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-but-3-en-2-yl-3,7-dimethylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(1-methylallyl)xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(C=C)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C11H14N4O2/c1-5-7(2)15-10(16)8-9(12-6-13(8)3)14(4)11(15)17/h5-7H,1H2,2-4H3