2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-3-29-18-27-24-23(29)25(33)31(26(34)30(24)16-21-12-8-5-9-13-21)17-22(32)28-19(2)14-15-20-10-6-4-7-11-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,28,32)