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

Systemtic Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-butyl-acetamide CAS Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-butylacetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-butyl-acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-3-4-10-22-17(27)14-26-20(28)18-19(23-15-24(18)11-12-30-2)25(21(26)29)13-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3,(H,22,27)