7-[(E)-but-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(diethylamino)-3-methyl-xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H21N5O2/c1-5-8-9-19-10-11(15-13(19)18(6-2)7-3)17(4)14(21)16-12(10)20/h5,8H,6-7,9H2,1-4H3,(H,16,20,21)/b8-5+