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

Systemtic Name: 2-[1,3-dimethyl-8-methylsulfanyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-8-methylsulfanyl-2,6-dioxo-purin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[1,3-dimethyl-8-(methylthio)-2,6-dioxo-7-purinyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(1,3-dimethyl-8-methylsulfanyl-2,6-dioxopurin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(methylthio)purin-7-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H23N7O4S MolecularWeight: 469.51682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=C(N=C3SC)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=C(N=C3SC)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C21H23N7O4S/c1-12-15(18(30)28(26(12)4)13-9-7-6-8-10-13)22-14(29)11-27-16-17(23-20(27)33-5)24(2)21(32)25(3)19(16)31/h6-10H,11H2,1-5H3,(H,22,29)