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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-4-22-17(27)13-26-20(28)18-19(23-14-24(18)11-10-15(2)3)25(21(26)29)12-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,27)