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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-4-16(5-2)23-17(27)13-26-20(28)18-19(22-14-24(18)6-3)25(21(26)29)12-15-10-8-7-9-11-15/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,23,27)