7-[(Z)-3-chloranylbut-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C12H16ClN5O3 MolecularWeight: 313.74014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C12H16ClN5O3/c1-7(13)3-5-18-8-9(15-11(18)14-4-6-19)17(2)12(21)16-10(8)20/h3,19H,4-6H2,1-2H3,(H,14,15)(H,16,20,21)/b7-3-