2-thiophen-2-yl-N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]ethanamide

Systemtic Name: 2-thiophen-2-yl-N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]ethanamide Openeye Name: 2-(2-thienyl)-N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]acetamide CAS Name: 2-thiophen-2-yl-N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]acetamide IUPAC Name: 2-thiophen-2-yl-N-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]acetamide Traditional Name: N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]-2-(2-thienyl)acetamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3NC(=O)CC4=CC=CS4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3NC(=O)CC4=CC=CS4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H19N5O3S2/c1-23-16-17(24(2)20(28)25(3)18(16)27)22-19(23)30-14-9-5-4-8-13(14)21-15(26)11-12-7-6-10-29-12/h4-10H,11H2,1-3H3,(H,21,26)