7-ethyl-1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=C(N(C(=C4)C)C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=C(N(C(=C4)C)C)C

InChI

InChI=1S/C23H25N5O3/c1-5-26-14-24-21-20(26)22(30)28(13-19(29)18-11-15(2)25(4)16(18)3)23(31)27(21)12-17-9-7-6-8-10-17/h6-11,14H,5,12-13H2,1-4H3