2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]ethanoate Openeye Name: 2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]acetate IUPAC Name: 2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)acetate Formula: C21H17N4O4- MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C21H18N4O4/c26-17(27)13-25-20(28)18-19(22-14-23(18)11-15-7-3-1-4-8-15)24(21(25)29)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,26,27)/p-1