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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(2-thienyl)ethyl]acetamide Formula: C15H16ClN5O3S MolecularWeight: 381.83724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C15H16ClN5O3S/c1-19-12-11(13(23)20(2)15(19)24)21(14(16)18-12)8-10(22)17-6-5-9-4-3-7-25-9/h3-4,7H,5-6,8H2,1-2H3,(H,17,22)