3-butyl-1-(5-oxidanylideneheptyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(5-oxidanylideneheptyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-(5-oxoheptyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-(5-oxoheptyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-(5-oxoheptyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(5-ketoheptyl)-7-propyl-xanthine Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)CC)N(C=N2)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)CC)N(C=N2)CCC

InChI

InChI=1S/C19H30N4O3/c1-4-7-12-22-17-16(21(11-5-2)14-20-17)18(25)23(19(22)26)13-9-8-10-15(24)6-3/h14H,4-13H2,1-3H3