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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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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)Br)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C23H22BrN5O3/c1-3-27-14-25-21-20(27)22(31)29(23(32)28(21)12-16-7-5-4-6-8-16)13-19(30)26-17-9-10-18(24)15(2)11-17/h4-11,14H,3,12-13H2,1-2H3,(H,26,30)