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

Systemtic Name: N-(thiophen-2-ylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-thienylmethyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(thiophen-2-ylmethyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(thiophen-2-ylmethyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(2-thenyl)acetamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H17N5O3S2/c1-18-11-12(19(2)15(23)20(3)13(11)22)17-14(18)25-8-10(21)16-7-9-5-4-6-24-9/h4-6H,7-8H2,1-3H3,(H,16,21)