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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-[2-(2-thienyl)ethyl]acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=CS4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H23N5O3S/c1-2-25-15-24-20-19(25)21(29)27(14-18(28)23-11-10-17-9-6-12-31-17)22(30)26(20)13-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3,(H,23,28)