N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H25N7O4S/c1-6-28-17-18(25(3)22(33)26(4)20(17)32)24-21(28)34-12-15(30)23-16-13(2)27(5)29(19(16)31)14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,23,30)