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

Systemtic Name: N-butyl-N-ethyl-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-butyl-N-ethyl-acetamide CAS Name: N-butyl-N-ethyl-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-butyl-N-ethylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-butyl-N-ethyl-acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-4-7-13-24(5-2)18(28)15-27-21(29)19-20(23-16-25(19)6-3)26(22(27)30)14-17-11-9-8-10-12-17/h8-12,16H,4-7,13-15H2,1-3H3