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

Systemtic Name: 4-[[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzamide Openeye Name: 4-[(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)methyl]benzamide CAS Name: 4-[[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]methyl]benzamide IUPAC Name: 4-[(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)methyl]benzamide Traditional Name: 4-[(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)methyl]benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H21N5O3/c1-2-25-14-24-20-18(25)21(29)27(13-16-8-10-17(11-9-16)19(23)28)22(30)26(20)12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H2,23,28)