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

Systemtic Name: N-(phenylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-benzyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(phenylmethyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-benzyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H19N5O3S/c1-20-13-14(21(2)17(25)22(3)15(13)24)19-16(20)26-10-12(23)18-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,23)