2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(4-nitrophenyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-nitrophenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(4-nitrophenyl)acetamide Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O5/c1-2-25-14-23-20-19(25)21(30)27(22(31)26(20)12-15-6-4-3-5-7-15)13-18(29)24-16-8-10-17(11-9-16)28(32)33/h3-11,14H,2,12-13H2,1H3,(H,24,29)