N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H15N5O4S/c1-21-14-13(15(23)18-8-17-14)20-16(21)26-7-12(22)19-9-2-3-10-11(6-9)25-5-4-24-10/h2-3,6,8H,4-5,7H2,1H3,(H,19,22)(H,17,18,23)