N-[6,8-bis(oxidanylidene)-7,9-bis(phenylmethyl)-3H-purin-2-yl]ethanamide

Systemtic Name: N-[6,8-bis(oxidanylidene)-7,9-bis(phenylmethyl)-3H-purin-2-yl]ethanamide Openeye Name: N-(7,9-dibenzyl-6,8-dioxo-3H-purin-2-yl)acetamide CAS Name: N-[6,8-dioxo-7,9-bis(phenylmethyl)-3H-purin-2-yl]acetamide IUPAC Name: N-(7,9-dibenzyl-6,8-dioxo-3H-purin-2-yl)acetamide Traditional Name: N-(7,9-dibenzyl-6,8-diketo-3H-purin-2-yl)acetamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-14(27)22-20-23-18-17(19(28)24-20)25(12-15-8-4-2-5-9-15)21(29)26(18)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,22,23,24,27,28)