N-[4-[1-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[1-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]phenyl]ethanamide Openeye Name: N-[4-[1-(3-methyl-2,6-dioxo-7H-purin-8-yl)-2-phenyl-ethyl]phenyl]acetamide CAS Name: N-[4-[1-(3-methyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]phenyl]acetamide IUPAC Name: N-[4-[1-(3-methyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]phenyl]acetamide Traditional Name: N-[4-[1-(2,6-diketo-3-methyl-7H-purin-8-yl)-2-phenyl-ethyl]phenyl]acetamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3=NC4=C(N3)C(=O)NC(=O)N4C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3=NC4=C(N3)C(=O)NC(=O)N4C

InChI

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