4-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetyl]amino]benzamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O4/c1-2-27-14-25-21-19(27)22(32)29(23(33)28(21)12-15-6-4-3-5-7-15)13-18(30)26-17-10-8-16(9-11-17)20(24)31/h3-11,14H,2,12-13H2,1H3,(H2,24,31)(H,26,30)