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

Systemtic Name: 7-ethyl-1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(1H-indol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(1H-indol-3-yl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(1H-indol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(1H-indol-3-yl)-2-keto-ethyl]xanthine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H21N5O3/c1-2-27-15-26-22-21(27)23(31)29(24(32)28(22)13-16-8-4-3-5-9-16)14-20(30)18-12-25-19-11-7-6-10-17(18)19/h3-12,15,25H,2,13-14H2,1H3