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

Systemtic Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-(2-indolin-1-yl-2-oxo-ethyl)purine-2,6-dione CAS Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(2-indolin-1-yl-2-keto-ethyl)xanthine Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C24H23N5O3/c1-2-26-16-25-22-21(26)23(31)29(24(32)28(22)14-17-8-4-3-5-9-17)15-20(30)27-13-12-18-10-6-7-11-19(18)27/h3-11,16H,2,12-15H2,1H3