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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-pentan-2-yl-ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(1-methylbutyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-pentan-2-ylacetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-pentan-2-ylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(1-methylbutyl)acetamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C(=O)C2=C(N=CN2CC)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)CN1C(=O)C2=C(N=CN2CC)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-4-9-15(3)23-17(27)13-26-20(28)18-19(22-14-24(18)5-2)25(21(26)29)12-16-10-7-6-8-11-16/h6-8,10-11,14-15H,4-5,9,12-13H2,1-3H3,(H,23,27)