3-methyl-1-(5-oxidanylidenehexyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylidenehexyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3-methyl-1-(5-oxohexyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-1-(5-oxohexyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(5-ketohexyl)-3-methyl-xanthine Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C

InChI

InChI=1S/C15H20N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h4,10H,1,5-9H2,2-3H3