N-(1,3-benzodioxol-5-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H19N5O5S/c1-4-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)29-8-13(24)19-10-5-6-11-12(7-10)28-9-27-11/h5-7H,4,8-9H2,1-3H3,(H,19,24)