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

Systemtic Name: 3-butyl-8-[3-oxidanylidene-3-[2-(phenylmethyl)pyrrolidin-1-yl]propyl]-7-pentyl-purine-2,6-dione Openeye Name: 8-[3-(2-benzylpyrrolidin-1-yl)-3-oxo-propyl]-3-butyl-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-oxo-3-[2-(phenylmethyl)-1-pyrrolidinyl]propyl]-7-pentylpurine-2,6-dione IUPAC Name: 8-[3-(2-benzylpyrrolidin-1-yl)-3-oxopropyl]-3-butyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[3-(2-benzylpyrrolidino)-3-keto-propyl]-3-butyl-xanthine Formula: C28H39N5O3 MolecularWeight: 493.64096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3CC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O3/c1-3-5-10-18-32-23(29-26-25(32)27(35)30-28(36)33(26)17-6-4-2)15-16-24(34)31-19-11-14-22(31)20-21-12-8-7-9-13-21/h7-9,12-13,22H,3-6,10-11,14-20H2,1-2H3,(H,30,35,36)