7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H19N5O3/c1-4-5-7-18-9-10(15-12(18)14-6-8-19)16(2)13(21)17(3)11(9)20/h4-5,19H,6-8H2,1-3H3,(H,14,15)/b5-4+