7-hept-6-en-2-yl-3H-purine-2,6-dione

Systemtic Name: 7-hept-6-en-2-yl-3H-purine-2,6-dione Openeye Name: 7-(1-methylhex-5-enyl)-3H-purine-2,6-dione CAS Name: 7-hept-6-en-2-yl-3H-purine-2,6-dione IUPAC Name: 7-hept-6-en-2-yl-3H-purine-2,6-dione Traditional Name: 7-(1-methylhex-5-enyl)xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=C)N1C=NC2=C1C(=O)NC(=O)N2

Isomeric SMILES

CC(CCCC=C)N1C=NC2=C1C(=O)NC(=O)N2

InChI

InChI=1S/C12H16N4O2/c1-3-4-5-6-8(2)16-7-13-10-9(16)11(17)15-12(18)14-10/h3,7-8H,1,4-6H2,2H3,(H2,14,15,17,18)