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

Systemtic Name: N-butyl-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-acetamide CAS Name: N-butyl-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-butylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-butyl-acetamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-3-5-11-21-16(26)13-25-19(27)17-18(22-14-23(17)4-2)24(20(25)28)12-15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H,21,26)