1,7-dimethyl-3-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-prop-2-enyl-purine-2,6-dione Openeye Name: 3-allyl-1,7-dimethyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-prop-2-enylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-3-prop-2-enylpurine-2,6-dione Traditional Name: 3-allyl-1,7-dimethyl-xanthine Formula: C10H12N4O2 MolecularWeight: 220.22788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC=C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC=C)C

InChI

InChI=1S/C10H12N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h4,6H,1,5H2,2-3H3