3-butyl-8-[3-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-oxo-3-[2-(p-tolyl)pyrrolidin-1-yl]propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-[2-(4-methylphenyl)-1-pyrrolidinyl]-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-keto-3-[2-(p-tolyl)pyrrolidino]propyl]xanthine Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3C4=CC=C(C=C4)C

InChI

InChI=1S/C28H39N5O3/c1-4-6-8-18-32-23(29-26-25(32)27(35)30-28(36)33(26)17-7-5-2)15-16-24(34)31-19-9-10-22(31)21-13-11-20(3)12-14-21/h11-14,22H,4-10,15-19H2,1-3H3,(H,30,35,36)