N-(1-adamantyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(1-adamantyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(1-adamantyl)-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(1-adamantyl)-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(1-adamantyl)-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H30N4OS/c1-12(2)28-19-17(11-23-20-18(19)13(3)25-26(20)4)21(27)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h11-12,14-16H,5-10H2,1-4H3,(H,24,27)