2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenoxypropyl)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenoxypropyl)purin-8-yl]sulfanylethanamide Openeye Name: 2-[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)purin-8-yl]sulfanylacetamide CAS Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)-8-purinyl]thio]acetamide IUPAC Name: 2-[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)purin-8-yl]sulfanylacetamide Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-phenoxypropyl)purin-8-yl]thio]acetamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CCCOC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O4S/c1-21-14-13(15(24)20-16(21)25)22(17(19-14)27-10-12(18)23)8-5-9-26-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,18,23)(H,20,24,25)