7-but-3-enyl-1-decyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-but-3-enyl-1-decyl-3-methyl-purine-2,6-dione Openeye Name: 7-but-3-enyl-1-decyl-3-methyl-purine-2,6-dione CAS Name: 7-but-3-enyl-1-decyl-3-methylpurine-2,6-dione IUPAC Name: 7-but-3-enyl-1-decyl-3-methylpurine-2,6-dione Traditional Name: 7-but-3-enyl-1-decyl-3-methyl-xanthine Formula: C20H32N4O2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C

InChI

InChI=1S/C20H32N4O2/c1-4-6-8-9-10-11-12-13-15-24-19(25)17-18(22(3)20(24)26)21-16-23(17)14-7-5-2/h5,16H,2,4,6-15H2,1,3H3