8-(5-nitrofuran-2-yl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(5-nitrofuran-2-yl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(5-nitro-2-furyl)purine-2,6-dione CAS Name: 8-(5-nitro-2-furanyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(5-nitrofuran-2-yl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(5-nitro-2-furyl)xanthine Formula: C23H17N5O5 MolecularWeight: 443.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2C4=CC=C(O4)[N+](=O)[O-])N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2C4=CC=C(O4)[N+](=O)[O-])N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H17N5O5/c29-22-19-21(27(23(30)25-22)14-16-9-5-2-6-10-16)24-20(17-11-12-18(33-17)28(31)32)26(19)13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,25,29,30)