3,7-dimethyl-1-[(E)-non-6-enyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(E)-non-6-enyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[(E)-non-6-enyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(E)-non-6-enyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(E)-non-6-enyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[(E)-non-6-enyl]xanthine Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC/C=C/CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C16H24N4O2/c1-4-5-6-7-8-9-10-11-20-15(21)13-14(17-12-18(13)2)19(3)16(20)22/h5-6,12H,4,7-11H2,1-3H3/b6-5+