3-butyl-7-(2-methylpropyl)-8-[3-oxidanylidene-3-(2-phenylpyrrolidin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxidanylidene-3-(2-phenylpyrrolidin-1-yl)propyl]purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(2-phenyl-1-pyrrolidinyl)propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-(2-phenylpyrrolidino)propyl]xanthine Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CC=CC=C4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C26H35N5O3/c1-4-5-15-30-24-23(25(33)28-26(30)34)31(17-18(2)3)21(27-24)13-14-22(32)29-16-9-12-20(29)19-10-7-6-8-11-19/h6-8,10-11,18,20H,4-5,9,12-17H2,1-3H3,(H,28,33,34)