1-ethyl-8,9-bis(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1-ethyl-8,9-bis(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 8,9-dibenzyl-1-ethyl-3H-purine-2,6-dione CAS Name: 1-ethyl-8,9-bis(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 8,9-dibenzyl-1-ethyl-3H-purine-2,6-dione Traditional Name: 8,9-dibenzyl-1-ethyl-xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N(C(=N2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N(C(=N2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-2-24-20(26)18-19(23-21(24)27)25(14-16-11-7-4-8-12-16)17(22-18)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,23,27)