3,7-dimethyl-1-(5-methyl-6-oxidanyl-hex-5-enyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-methyl-6-oxidanyl-hex-5-enyl)purine-2,6-dione Openeye Name: 1-(6-hydroxy-5-methyl-hex-5-enyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-hydroxy-5-methylhex-5-enyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-hydroxy-5-methylhex-5-enyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-hydroxy-5-methyl-hex-5-enyl)-3,7-dimethyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CO)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=CO)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H20N4O3/c1-10(8-19)6-4-5-7-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h8-9,19H,4-7H2,1-3H3