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

Systemtic Name: N-ethyl-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-ethyl-acetamide CAS Name: N-ethyl-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-ethylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-ethyl-acetamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-4-21-16(26)12-25-19(27)17-18(22-13-23(17)10-14(2)3)24(20(25)28)11-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,21,26)