1,3-dibutyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(2-keto-1-methyl-propyl)xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)C(C)C(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)C(C)C(=O)C

InChI

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