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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(3-hydroxyphenyl)ethanamide Openeye Name: N-(3-hydroxyphenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-(3-hydroxyphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(3-hydroxyphenyl)acetamide Traditional Name: N-(3-hydroxyphenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21N5O4S/c1-10(2)23-14-15(21(3)18(27)22(4)16(14)26)20-17(23)28-9-13(25)19-11-6-5-7-12(24)8-11/h5-8,10,24H,9H2,1-4H3,(H,19,25)