3-methyl-1,7-bis(phenylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-pyrrolidino-xanthine Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2/c1-26-21-20(22(30)29(24(26)31)17-19-12-6-3-7-13-19)28(16-18-10-4-2-5-11-18)23(25-21)27-14-8-9-15-27/h2-7,10-13H,8-9,14-17H2,1H3