3,7-dimethyl-1-(5-methylhex-4-enyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-methylhex-4-enyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(5-methylhex-4-enyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(5-methylhex-4-enyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(5-methylhex-4-enyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(5-methylhex-4-enyl)xanthine Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2/c1-10(2)7-5-6-8-18-13(19)11-12(15-9-16(11)3)17(4)14(18)20/h7,9H,5-6,8H2,1-4H3