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

Systemtic Name: N-aminocarbonyl-2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]propanamide Openeye Name: N-carbamoyl-2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)propanamide CAS Name: N-carbamoyl-2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]propanamide IUPAC Name: N-carbamoyl-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)propanamide Traditional Name: N-carbamoyl-2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)propionamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)N)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N6O4/c1-15(20(30)26-22(24)32)29-21(31)18-19(25-14-27(18)12-16-8-4-2-5-9-16)28(23(29)33)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H3,24,26,30,32)