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

Systemtic Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c1-3-4-6-17-8-9(14-11(17)13-5-7-18)16(2)12(20)15-10(8)19/h3-4,18H,5-7H2,1-2H3,(H,13,14)(H,15,19,20)/b4-3+