1,7-bis(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1,7-bis(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 1,7-dibenzyl-3H-purine-2,6-dione CAS Name: 1,7-bis(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3H-purine-2,6-dione Traditional Name: 1,7-dibenzylxanthine Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2/c24-18-16-17(20-13-22(16)11-14-7-3-1-4-8-14)21-19(25)23(18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,25)