1-hept-6-enyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-hept-6-enyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-hept-6-enyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-hept-6-enyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-hept-6-enyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-hept-6-enyl-3,7-dimethyl-xanthine Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC=C

InChI

InChI=1S/C14H20N4O2/c1-4-5-6-7-8-9-18-13(19)11-12(15-10-16(11)2)17(3)14(18)20/h4,10H,1,5-9H2,2-3H3