2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenethyl-N-(2-thienylmethyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenethyl-N-(2-thenyl)acetamide Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H22ClN5O3S/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27(13-16-9-6-12-32-16)11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3