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

Systemtic Name: 3,7-diethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3,7-diethyl-purine-2,6-dione CAS Name: 3,7-diethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3,7-diethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3,7-diethyl-xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC=C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC=C

InChI

InChI=1S/C12H16N4O2/c1-4-7-16-11(17)9-10(13-8-14(9)5-2)15(6-3)12(16)18/h4,8H,1,5-7H2,2-3H3