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

Systemtic Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(2-indolin-1-yl-2-oxo-ethyl)purine-2,6-dione CAS Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-indolin-1-yl-2-keto-ethyl)xanthine Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)C4=C(N=CN4CC5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)C4=C(N=CN4CC5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6

InChI

InChI=1S/C29H25N5O3/c35-25(32-16-15-23-13-7-8-14-24(23)32)19-34-28(36)26-27(30-20-31(26)17-21-9-3-1-4-10-21)33(29(34)37)18-22-11-5-2-6-12-22/h1-14,20H,15-19H2