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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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