1-(2-methylprop-2-enyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(2-methylprop-2-enyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2-methylallyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2-methylprop-2-enyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2-methylprop-2-enyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(2-methylallyl)-7H-xanthine Formula: C9H10N4O2 MolecularWeight: 206.2013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C9H10N4O2/c1-5(2)3-13-8(14)6-7(11-4-10-6)12-9(13)15/h4H,1,3H2,2H3,(H,10,11)(H,12,15)