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

Systemtic Name: 7-[(E)-but-2-enyl]-8-(ethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-(ethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(ethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-(ethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(ethylamino)-3-methyl-xanthine Formula: C12H17N5O2 MolecularWeight: 263.29568

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H17N5O2/c1-4-6-7-17-8-9(14-11(17)13-5-2)16(3)12(19)15-10(8)18/h4,6H,5,7H2,1-3H3,(H,13,14)(H,15,18,19)/b6-4+