7-but-3-enyl-1,3-dihexyl-purine-2,6-dione

Systemtic Name: 7-but-3-enyl-1,3-dihexyl-purine-2,6-dione Openeye Name: 7-but-3-enyl-1,3-dihexyl-purine-2,6-dione CAS Name: 7-but-3-enyl-1,3-dihexylpurine-2,6-dione IUPAC Name: 7-but-3-enyl-1,3-dihexylpurine-2,6-dione Traditional Name: 7-but-3-enyl-1,3-dihexyl-xanthine Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N(C1=O)CCCCCC)N(C=N2)CCC=C

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N(C1=O)CCCCCC)N(C=N2)CCC=C

InChI

InChI=1S/C21H34N4O2/c1-4-7-10-12-15-24-19-18(23(17-22-19)14-9-6-3)20(26)25(21(24)27)16-13-11-8-5-2/h6,17H,3-5,7-16H2,1-2H3