N-(4-cyclopentylsulfanylphenyl)-1,6-dimethyl-3-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-1,6-dimethyl-3-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[4-(cyclopentylthio)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-keto-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SC4CCCC4)C(=O)NN2C

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SC4CCCC4)C(=O)NN2C

InChI

InChI=1S/C20H22N4O2S/c1-12-11-16(17-18(21-12)24(2)23-20(17)26)19(25)22-13-7-9-15(10-8-13)27-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,22,25)(H,23,26)