2-[5-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,4-bis(oxidanylidene)purino[8,9-c][1,2,4]triazol-8-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[5-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,4-bis(oxidanylidene)purino[8,9-c][1,2,4]triazol-8-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxo-purino[8,9-c][1,2,4]triazol-8-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxo-8-purino[8,9-c][1,2,4]triazolyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[5-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopurino[8,9-c][1,2,4]triazol-8-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-2,4-diketo-1,3-dimethyl-purino[8,9-c][1,2,4]triazol-8-yl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C25H24ClN7O3S MolecularWeight: 538.02116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C3N2C4=C(N3CC5=CC=C(C=C5)Cl)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C3N2C4=C(N3CC5=CC=C(C=C5)Cl)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C25H24ClN7O3S/c1-14-6-5-7-15(2)19(14)27-18(34)13-37-24-29-28-23-32(12-16-8-10-17(26)11-9-16)20-21(33(23)24)30(3)25(36)31(4)22(20)35/h5-11H,12-13H2,1-4H3,(H,27,34)