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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-prop-2-enylacetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetamide Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC=C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC=C

InChI

InChI=1S/C19H21N5O3/c1-3-10-20-15(25)12-24-18(26)16-17(21-13-22(16)4-2)23(19(24)27)11-14-8-6-5-7-9-14/h3,5-9,13H,1,4,10-12H2,2H3,(H,20,25)