3-butyl-8-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-oxo-3-pyrrolidin-1-yl-propyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-oxo-3-(1-pyrrolidinyl)propyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-oxo-3-pyrrolidin-1-ylpropyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(3-keto-3-pyrrolidino-propyl)xanthine Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3

InChI

InChI=1S/C21H33N5O3/c1-3-5-7-15-25-16(10-11-17(27)24-12-8-9-13-24)22-19-18(25)20(28)23-21(29)26(19)14-6-4-2/h3-15H2,1-2H3,(H,23,28,29)