3-butyl-1-(2-methyl-3-oxidanylidene-butyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(2-methyl-3-oxidanylidene-butyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-(2-methyl-3-oxo-butyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-(2-methyl-3-oxobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-(2-methyl-3-oxobutyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(3-keto-2-methyl-butyl)-7-propyl-xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-5-7-9-20-15-14(19(8-6-2)11-18-15)16(23)21(17(20)24)10-12(3)13(4)22/h11-12H,5-10H2,1-4H3